USER MOD reduce.3.24.130724 H: found=0, std=0, add=632, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 634 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 GLN : amide:sc= 0 X(o=-0.52,f=-0.52) USER MOD Set 1.2: A 77 TYR OH : rot 130:sc= -0.515 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 ASN : amide:sc= 0.34 K(o=0.34,f=-5.3!) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.0158 USER MOD Single : A 25 THR OG1 : rot -26:sc= 0.465 USER MOD Single : A 29 LYS NZ :NH3+ 162:sc= 0.431 (180deg=0.259) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= -1.51! USER MOD Single : A 44 LYS NZ :NH3+ -158:sc= 1.28 (180deg=1.21) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.0523 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.951 X(o=-0.95,f=-0.93) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.415 USER MOD Single : A 76 THR OG1 : rot 180:sc= -1.26 USER MOD Single : A 78 THR OG1 : rot 180:sc=-0.000923 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= -0.0371 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 103:sc= 0.467 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot -120:sc= -0.771 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 80 N PRO A 9 9.088 15.202 -0.460 1.00 0.00 N ATOM 81 CA PRO A 9 8.800 14.235 0.603 1.00 0.00 C ATOM 82 C PRO A 9 9.422 12.870 0.330 1.00 0.00 C ATOM 83 O PRO A 9 9.219 12.287 -0.736 1.00 0.00 O ATOM 84 CB PRO A 9 7.272 14.139 0.591 1.00 0.00 C ATOM 85 CG PRO A 9 6.880 14.518 -0.795 1.00 0.00 C ATOM 86 CD PRO A 9 7.889 15.537 -1.247 1.00 0.00 C ATOM 0 HA PRO A 9 9.214 14.548 1.562 1.00 0.00 H new ATOM 0 HB2 PRO A 9 6.937 13.131 0.836 1.00 0.00 H new ATOM 0 HB3 PRO A 9 6.827 14.810 1.326 1.00 0.00 H new ATOM 0 HG2 PRO A 9 6.882 13.649 -1.453 1.00 0.00 H new ATOM 0 HG3 PRO A 9 5.872 14.931 -0.816 1.00 0.00 H new ATOM 0 HD2 PRO A 9 8.079 15.467 -2.318 1.00 0.00 H new ATOM 0 HD3 PRO A 9 7.550 16.554 -1.049 1.00 0.00 H new ATOM 94 N ILE A 10 10.180 12.366 1.297 1.00 0.00 N ATOM 95 CA ILE A 10 10.831 11.069 1.160 1.00 0.00 C ATOM 96 C ILE A 10 10.054 9.984 1.899 1.00 0.00 C ATOM 97 O ILE A 10 9.281 10.273 2.813 1.00 0.00 O ATOM 98 CB ILE A 10 12.275 11.104 1.694 1.00 0.00 C ATOM 99 CG1 ILE A 10 13.160 11.952 0.778 1.00 0.00 C ATOM 100 CG2 ILE A 10 12.829 9.692 1.816 1.00 0.00 C ATOM 101 CD1 ILE A 10 13.058 11.570 -0.683 1.00 0.00 C ATOM 0 H ILE A 10 10.359 12.836 2.184 1.00 0.00 H new ATOM 0 HA ILE A 10 10.852 10.837 0.095 1.00 0.00 H new ATOM 0 HB ILE A 10 12.270 11.558 2.685 1.00 0.00 H new ATOM 0 HG12 ILE A 10 12.886 13.001 0.891 1.00 0.00 H new ATOM 0 HG13 ILE A 10 14.197 11.857 1.099 1.00 0.00 H new ATOM 0 HG21 ILE A 10 13.850 9.733 2.195 1.00 0.00 H new ATOM 0 HG22 ILE A 10 12.210 9.116 2.504 1.00 0.00 H new ATOM 0 HG23 ILE A 10 12.824 9.213 0.837 1.00 0.00 H new ATOM 0 HD11 ILE A 10 13.712 12.212 -1.273 1.00 0.00 H new ATOM 0 HD12 ILE A 10 13.360 10.530 -0.809 1.00 0.00 H new ATOM 0 HD13 ILE A 10 12.029 11.692 -1.020 1.00 0.00 H new ATOM 113 N ILE A 11 10.266 8.735 1.497 1.00 0.00 N ATOM 114 CA ILE A 11 9.588 7.607 2.123 1.00 0.00 C ATOM 115 C ILE A 11 10.554 6.787 2.972 1.00 0.00 C ATOM 116 O ILE A 11 11.207 5.868 2.477 1.00 0.00 O ATOM 117 CB ILE A 11 8.939 6.687 1.072 1.00 0.00 C ATOM 118 CG1 ILE A 11 7.702 7.357 0.471 1.00 0.00 C ATOM 119 CG2 ILE A 11 8.572 5.348 1.695 1.00 0.00 C ATOM 120 CD1 ILE A 11 7.151 6.635 -0.739 1.00 0.00 C ATOM 0 H ILE A 11 10.901 8.479 0.741 1.00 0.00 H new ATOM 0 HA ILE A 11 8.809 8.022 2.762 1.00 0.00 H new ATOM 0 HB ILE A 11 9.658 6.509 0.272 1.00 0.00 H new ATOM 0 HG12 ILE A 11 6.925 7.417 1.233 1.00 0.00 H new ATOM 0 HG13 ILE A 11 7.953 8.380 0.190 1.00 0.00 H new ATOM 0 HG21 ILE A 11 8.114 4.709 0.940 1.00 0.00 H new ATOM 0 HG22 ILE A 11 9.471 4.868 2.081 1.00 0.00 H new ATOM 0 HG23 ILE A 11 7.867 5.507 2.511 1.00 0.00 H new ATOM 0 HD11 ILE A 11 6.275 7.166 -1.112 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.912 6.598 -1.518 1.00 0.00 H new ATOM 0 HD13 ILE A 11 6.868 5.620 -0.460 1.00 0.00 H new ATOM 132 N LEU A 12 10.639 7.125 4.254 1.00 0.00 N ATOM 133 CA LEU A 12 11.524 6.419 5.174 1.00 0.00 C ATOM 134 C LEU A 12 11.419 4.910 4.981 1.00 0.00 C ATOM 135 O LEU A 12 12.429 4.207 4.957 1.00 0.00 O ATOM 136 CB LEU A 12 11.184 6.784 6.621 1.00 0.00 C ATOM 137 CG LEU A 12 11.298 8.264 6.984 1.00 0.00 C ATOM 138 CD1 LEU A 12 10.479 8.574 8.228 1.00 0.00 C ATOM 139 CD2 LEU A 12 12.755 8.651 7.194 1.00 0.00 C ATOM 0 H LEU A 12 10.106 7.883 4.680 1.00 0.00 H new ATOM 0 HA LEU A 12 12.548 6.724 4.959 1.00 0.00 H new ATOM 0 HB2 LEU A 12 10.165 6.457 6.827 1.00 0.00 H new ATOM 0 HB3 LEU A 12 11.840 6.217 7.281 1.00 0.00 H new ATOM 0 HG LEU A 12 10.901 8.852 6.157 1.00 0.00 H new ATOM 0 HD11 LEU A 12 10.573 9.632 8.471 1.00 0.00 H new ATOM 0 HD12 LEU A 12 9.432 8.335 8.043 1.00 0.00 H new ATOM 0 HD13 LEU A 12 10.845 7.976 9.063 1.00 0.00 H new ATOM 0 HD21 LEU A 12 12.817 9.708 7.452 1.00 0.00 H new ATOM 0 HD22 LEU A 12 13.177 8.055 8.003 1.00 0.00 H new ATOM 0 HD23 LEU A 12 13.316 8.467 6.278 1.00 0.00 H new ATOM 151 N GLN A 13 10.192 4.420 4.840 1.00 0.00 N ATOM 152 CA GLN A 13 9.957 2.994 4.646 1.00 0.00 C ATOM 153 C GLN A 13 8.663 2.756 3.873 1.00 0.00 C ATOM 154 O GLN A 13 7.572 3.031 4.370 1.00 0.00 O ATOM 155 CB GLN A 13 9.898 2.277 5.996 1.00 0.00 C ATOM 156 CG GLN A 13 11.252 1.788 6.484 1.00 0.00 C ATOM 157 CD GLN A 13 11.136 0.652 7.482 1.00 0.00 C ATOM 158 OE1 GLN A 13 10.903 -0.498 7.107 1.00 0.00 O ATOM 159 NE2 GLN A 13 11.299 0.968 8.761 1.00 0.00 N ATOM 0 H GLN A 13 9.346 4.989 4.856 1.00 0.00 H new ATOM 0 HA GLN A 13 10.786 2.590 4.064 1.00 0.00 H new ATOM 0 HB2 GLN A 13 9.476 2.953 6.739 1.00 0.00 H new ATOM 0 HB3 GLN A 13 9.221 1.427 5.917 1.00 0.00 H new ATOM 0 HG2 GLN A 13 11.844 1.458 5.631 1.00 0.00 H new ATOM 0 HG3 GLN A 13 11.790 2.617 6.944 1.00 0.00 H new ATOM 0 HE21 GLN A 13 11.491 1.934 9.027 1.00 0.00 H new ATOM 0 HE22 GLN A 13 11.233 0.245 9.477 1.00 0.00 H new ATOM 168 N GLY A 14 8.794 2.242 2.654 1.00 0.00 N ATOM 169 CA GLY A 14 7.628 1.976 1.832 1.00 0.00 C ATOM 170 C GLY A 14 7.293 0.500 1.761 1.00 0.00 C ATOM 171 O GLY A 14 7.797 -0.311 2.539 1.00 0.00 O ATOM 0 H GLY A 14 9.687 2.005 2.221 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.773 2.521 2.233 1.00 0.00 H new ATOM 0 HA3 GLY A 14 7.803 2.354 0.825 1.00 0.00 H new ATOM 175 N PRO A 15 6.421 0.131 0.811 1.00 0.00 N ATOM 176 CA PRO A 15 5.999 -1.259 0.620 1.00 0.00 C ATOM 177 C PRO A 15 7.120 -2.135 0.069 1.00 0.00 C ATOM 178 O PRO A 15 8.250 -1.678 -0.103 1.00 0.00 O ATOM 179 CB PRO A 15 4.859 -1.148 -0.396 1.00 0.00 C ATOM 180 CG PRO A 15 5.137 0.113 -1.140 1.00 0.00 C ATOM 181 CD PRO A 15 5.781 1.044 -0.151 1.00 0.00 C ATOM 0 HA PRO A 15 5.707 -1.728 1.559 1.00 0.00 H new ATOM 0 HB2 PRO A 15 4.841 -2.007 -1.066 1.00 0.00 H new ATOM 0 HB3 PRO A 15 3.889 -1.110 0.100 1.00 0.00 H new ATOM 0 HG2 PRO A 15 5.796 -0.072 -1.988 1.00 0.00 H new ATOM 0 HG3 PRO A 15 4.217 0.542 -1.538 1.00 0.00 H new ATOM 0 HD2 PRO A 15 6.510 1.698 -0.630 1.00 0.00 H new ATOM 0 HD3 PRO A 15 5.046 1.687 0.333 1.00 0.00 H new ATOM 189 N ALA A 16 6.799 -3.395 -0.207 1.00 0.00 N ATOM 190 CA ALA A 16 7.778 -4.333 -0.741 1.00 0.00 C ATOM 191 C ALA A 16 7.096 -5.557 -1.341 1.00 0.00 C ATOM 192 O ALA A 16 5.962 -5.882 -0.989 1.00 0.00 O ATOM 193 CB ALA A 16 8.757 -4.751 0.346 1.00 0.00 C ATOM 0 H ALA A 16 5.868 -3.789 -0.069 1.00 0.00 H new ATOM 0 HA ALA A 16 8.329 -3.831 -1.536 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.482 -5.452 -0.067 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.277 -3.871 0.725 1.00 0.00 H new ATOM 0 HB3 ALA A 16 8.214 -5.230 1.161 1.00 0.00 H new ATOM 199 N ASN A 17 7.793 -6.233 -2.249 1.00 0.00 N ATOM 200 CA ASN A 17 7.252 -7.421 -2.898 1.00 0.00 C ATOM 201 C ASN A 17 6.980 -8.523 -1.878 1.00 0.00 C ATOM 202 O ASN A 17 7.898 -9.214 -1.438 1.00 0.00 O ATOM 203 CB ASN A 17 8.222 -7.929 -3.967 1.00 0.00 C ATOM 204 CG ASN A 17 9.649 -8.011 -3.461 1.00 0.00 C ATOM 205 OD1 ASN A 17 10.164 -7.064 -2.868 1.00 0.00 O ATOM 206 ND2 ASN A 17 10.295 -9.148 -3.695 1.00 0.00 N ATOM 0 H ASN A 17 8.733 -5.978 -2.552 1.00 0.00 H new ATOM 0 HA ASN A 17 6.309 -7.148 -3.371 1.00 0.00 H new ATOM 0 HB2 ASN A 17 7.902 -8.915 -4.305 1.00 0.00 H new ATOM 0 HB3 ASN A 17 8.184 -7.267 -4.832 1.00 0.00 H new ATOM 0 HD21 ASN A 17 11.258 -9.262 -3.379 1.00 0.00 H new ATOM 0 HD22 ASN A 17 9.828 -9.907 -4.191 1.00 0.00 H new ATOM 213 N GLN A 18 5.714 -8.679 -1.508 1.00 0.00 N ATOM 214 CA GLN A 18 5.321 -9.696 -0.539 1.00 0.00 C ATOM 215 C GLN A 18 4.325 -10.675 -1.152 1.00 0.00 C ATOM 216 O GLN A 18 3.467 -10.290 -1.947 1.00 0.00 O ATOM 217 CB GLN A 18 4.713 -9.041 0.702 1.00 0.00 C ATOM 218 CG GLN A 18 3.675 -7.978 0.382 1.00 0.00 C ATOM 219 CD GLN A 18 3.346 -7.105 1.577 1.00 0.00 C ATOM 220 OE1 GLN A 18 3.127 -7.603 2.682 1.00 0.00 O ATOM 221 NE2 GLN A 18 3.309 -5.795 1.362 1.00 0.00 N ATOM 0 H GLN A 18 4.942 -8.115 -1.864 1.00 0.00 H new ATOM 0 HA GLN A 18 6.214 -10.249 -0.248 1.00 0.00 H new ATOM 0 HB2 GLN A 18 4.253 -9.811 1.321 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.511 -8.592 1.293 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.041 -7.351 -0.431 1.00 0.00 H new ATOM 0 HG3 GLN A 18 2.764 -8.460 0.027 1.00 0.00 H new ATOM 0 HE21 GLN A 18 3.497 -5.426 0.430 1.00 0.00 H new ATOM 0 HE22 GLN A 18 3.093 -5.158 2.129 1.00 0.00 H new ATOM 230 N THR A 19 4.444 -11.945 -0.777 1.00 0.00 N ATOM 231 CA THR A 19 3.556 -12.980 -1.290 1.00 0.00 C ATOM 232 C THR A 19 2.736 -13.606 -0.168 1.00 0.00 C ATOM 233 O THR A 19 3.230 -14.452 0.579 1.00 0.00 O ATOM 234 CB THR A 19 4.343 -14.088 -2.015 1.00 0.00 C ATOM 235 OG1 THR A 19 5.093 -13.527 -3.098 1.00 0.00 O ATOM 236 CG2 THR A 19 3.405 -15.162 -2.543 1.00 0.00 C ATOM 0 H THR A 19 5.147 -12.281 -0.119 1.00 0.00 H new ATOM 0 HA THR A 19 2.886 -12.497 -2.001 1.00 0.00 H new ATOM 0 HB THR A 19 5.026 -14.546 -1.299 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.592 -14.237 -3.553 1.00 0.00 H new ATOM 0 HG21 THR A 19 3.984 -15.933 -3.051 1.00 0.00 H new ATOM 0 HG22 THR A 19 2.857 -15.607 -1.712 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.700 -14.716 -3.245 1.00 0.00 H new ATOM 244 N LEU A 20 1.480 -13.188 -0.055 1.00 0.00 N ATOM 245 CA LEU A 20 0.589 -13.709 0.976 1.00 0.00 C ATOM 246 C LEU A 20 -0.493 -14.593 0.365 1.00 0.00 C ATOM 247 O LEU A 20 -0.577 -14.735 -0.854 1.00 0.00 O ATOM 248 CB LEU A 20 -0.053 -12.558 1.752 1.00 0.00 C ATOM 249 CG LEU A 20 0.889 -11.438 2.195 1.00 0.00 C ATOM 250 CD1 LEU A 20 0.104 -10.175 2.515 1.00 0.00 C ATOM 251 CD2 LEU A 20 1.711 -11.877 3.398 1.00 0.00 C ATOM 0 H LEU A 20 1.055 -12.489 -0.665 1.00 0.00 H new ATOM 0 HA LEU A 20 1.182 -14.315 1.662 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.837 -12.122 1.133 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.538 -12.969 2.638 1.00 0.00 H new ATOM 0 HG LEU A 20 1.572 -11.218 1.374 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.791 -9.389 2.828 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.439 -9.850 1.628 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.603 -10.380 3.319 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.376 -11.067 3.699 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.044 -12.125 4.223 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.303 -12.753 3.134 1.00 0.00 H new ATOM 263 N ALA A 21 -1.321 -15.183 1.221 1.00 0.00 N ATOM 264 CA ALA A 21 -2.401 -16.049 0.766 1.00 0.00 C ATOM 265 C ALA A 21 -3.705 -15.271 0.622 1.00 0.00 C ATOM 266 O ALA A 21 -3.824 -14.144 1.103 1.00 0.00 O ATOM 267 CB ALA A 21 -2.583 -17.215 1.726 1.00 0.00 C ATOM 0 H ALA A 21 -1.264 -15.077 2.234 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.131 -16.440 -0.215 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.393 -17.853 1.374 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.660 -17.793 1.775 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.826 -16.835 2.718 1.00 0.00 H new ATOM 273 N VAL A 22 -4.681 -15.880 -0.044 1.00 0.00 N ATOM 274 CA VAL A 22 -5.977 -15.244 -0.251 1.00 0.00 C ATOM 275 C VAL A 22 -6.891 -15.457 0.951 1.00 0.00 C ATOM 276 O VAL A 22 -6.766 -16.446 1.672 1.00 0.00 O ATOM 277 CB VAL A 22 -6.673 -15.787 -1.513 1.00 0.00 C ATOM 278 CG1 VAL A 22 -6.724 -17.307 -1.484 1.00 0.00 C ATOM 279 CG2 VAL A 22 -8.071 -15.201 -1.644 1.00 0.00 C ATOM 0 H VAL A 22 -4.599 -16.812 -0.449 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.790 -14.178 -0.378 1.00 0.00 H new ATOM 0 HB VAL A 22 -6.093 -15.484 -2.385 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -7.219 -17.672 -2.384 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.710 -17.704 -1.442 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -7.279 -17.636 -0.606 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -8.548 -15.595 -2.541 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -8.662 -15.472 -0.769 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -8.005 -14.115 -1.716 1.00 0.00 H new ATOM 289 N ASP A 23 -7.811 -14.521 1.160 1.00 0.00 N ATOM 290 CA ASP A 23 -8.748 -14.606 2.274 1.00 0.00 C ATOM 291 C ASP A 23 -8.057 -14.271 3.592 1.00 0.00 C ATOM 292 O ASP A 23 -8.344 -14.874 4.626 1.00 0.00 O ATOM 293 CB ASP A 23 -9.362 -16.005 2.347 1.00 0.00 C ATOM 294 CG ASP A 23 -10.652 -16.031 3.142 1.00 0.00 C ATOM 295 OD1 ASP A 23 -11.543 -15.205 2.854 1.00 0.00 O ATOM 296 OD2 ASP A 23 -10.771 -16.876 4.054 1.00 0.00 O ATOM 0 H ASP A 23 -7.928 -13.695 0.573 1.00 0.00 H new ATOM 0 HA ASP A 23 -9.542 -13.878 2.105 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.554 -16.367 1.337 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -8.645 -16.690 2.801 1.00 0.00 H new ATOM 301 N GLY A 24 -7.144 -13.306 3.548 1.00 0.00 N ATOM 302 CA GLY A 24 -6.426 -12.908 4.744 1.00 0.00 C ATOM 303 C GLY A 24 -6.427 -11.407 4.950 1.00 0.00 C ATOM 304 O GLY A 24 -7.486 -10.782 5.019 1.00 0.00 O ATOM 0 H GLY A 24 -6.889 -12.792 2.705 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -6.876 -13.391 5.611 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.397 -13.262 4.681 1.00 0.00 H new ATOM 308 N THR A 25 -5.237 -10.823 5.049 1.00 0.00 N ATOM 309 CA THR A 25 -5.104 -9.386 5.250 1.00 0.00 C ATOM 310 C THR A 25 -3.710 -8.903 4.867 1.00 0.00 C ATOM 311 O THR A 25 -2.708 -9.396 5.385 1.00 0.00 O ATOM 312 CB THR A 25 -5.387 -8.995 6.714 1.00 0.00 C ATOM 313 OG1 THR A 25 -6.630 -9.563 7.141 1.00 0.00 O ATOM 314 CG2 THR A 25 -5.434 -7.483 6.871 1.00 0.00 C ATOM 0 H THR A 25 -4.350 -11.324 4.993 1.00 0.00 H new ATOM 0 HA THR A 25 -5.841 -8.907 4.605 1.00 0.00 H new ATOM 0 HB THR A 25 -4.579 -9.383 7.333 1.00 0.00 H new ATOM 0 HG1 THR A 25 -7.208 -9.708 6.363 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.635 -7.231 7.912 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.476 -7.056 6.573 1.00 0.00 H new ATOM 0 HG23 THR A 25 -6.224 -7.076 6.240 1.00 0.00 H new ATOM 322 N ALA A 26 -3.653 -7.935 3.959 1.00 0.00 N ATOM 323 CA ALA A 26 -2.381 -7.383 3.509 1.00 0.00 C ATOM 324 C ALA A 26 -2.115 -6.024 4.147 1.00 0.00 C ATOM 325 O ALA A 26 -2.734 -5.024 3.782 1.00 0.00 O ATOM 326 CB ALA A 26 -2.363 -7.268 1.992 1.00 0.00 C ATOM 0 H ALA A 26 -4.473 -7.516 3.520 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.588 -8.063 3.821 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.407 -6.854 1.670 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.498 -8.255 1.551 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.170 -6.612 1.667 1.00 0.00 H new ATOM 332 N LEU A 27 -1.193 -5.995 5.103 1.00 0.00 N ATOM 333 CA LEU A 27 -0.845 -4.758 5.794 1.00 0.00 C ATOM 334 C LEU A 27 0.376 -4.103 5.156 1.00 0.00 C ATOM 335 O LEU A 27 1.514 -4.471 5.449 1.00 0.00 O ATOM 336 CB LEU A 27 -0.575 -5.036 7.273 1.00 0.00 C ATOM 337 CG LEU A 27 -1.795 -5.007 8.195 1.00 0.00 C ATOM 338 CD1 LEU A 27 -2.441 -3.631 8.183 1.00 0.00 C ATOM 339 CD2 LEU A 27 -2.800 -6.074 7.784 1.00 0.00 C ATOM 0 H LEU A 27 -0.673 -6.814 5.417 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.688 -4.073 5.708 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.104 -6.015 7.358 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.146 -4.303 7.634 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.463 -5.221 9.211 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.307 -3.630 8.845 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.721 -2.888 8.526 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.759 -3.387 7.169 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.661 -6.039 8.451 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.126 -5.892 6.760 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.333 -7.057 7.846 1.00 0.00 H new ATOM 351 N LEU A 28 0.132 -3.130 4.286 1.00 0.00 N ATOM 352 CA LEU A 28 1.212 -2.421 3.608 1.00 0.00 C ATOM 353 C LEU A 28 1.827 -1.366 4.521 1.00 0.00 C ATOM 354 O LEU A 28 1.121 -0.539 5.097 1.00 0.00 O ATOM 355 CB LEU A 28 0.692 -1.764 2.328 1.00 0.00 C ATOM 356 CG LEU A 28 0.575 -2.675 1.105 1.00 0.00 C ATOM 357 CD1 LEU A 28 -0.636 -3.585 1.231 1.00 0.00 C ATOM 358 CD2 LEU A 28 0.494 -1.848 -0.170 1.00 0.00 C ATOM 0 H LEU A 28 -0.804 -2.814 4.033 1.00 0.00 H new ATOM 0 HA LEU A 28 1.984 -3.146 3.349 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.290 -1.339 2.535 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.352 -0.934 2.076 1.00 0.00 H new ATOM 0 HG LEU A 28 1.468 -3.299 1.053 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.703 -4.226 0.352 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.536 -4.203 2.123 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.539 -2.980 1.308 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.411 -2.513 -1.030 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.380 -1.199 -0.128 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.393 -1.240 -0.267 1.00 0.00 H new ATOM 370 N LYS A 29 3.150 -1.399 4.647 1.00 0.00 N ATOM 371 CA LYS A 29 3.863 -0.445 5.487 1.00 0.00 C ATOM 372 C LYS A 29 4.446 0.688 4.649 1.00 0.00 C ATOM 373 O LYS A 29 5.294 0.462 3.785 1.00 0.00 O ATOM 374 CB LYS A 29 4.981 -1.149 6.260 1.00 0.00 C ATOM 375 CG LYS A 29 4.475 -2.058 7.367 1.00 0.00 C ATOM 376 CD LYS A 29 4.093 -3.428 6.833 1.00 0.00 C ATOM 377 CE LYS A 29 3.137 -4.146 7.773 1.00 0.00 C ATOM 378 NZ LYS A 29 3.081 -5.608 7.497 1.00 0.00 N ATOM 0 H LYS A 29 3.750 -2.077 4.177 1.00 0.00 H new ATOM 0 HA LYS A 29 3.151 -0.021 6.196 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.579 -1.737 5.563 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.642 -0.397 6.692 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.245 -2.166 8.131 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.611 -1.600 7.848 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.629 -3.321 5.852 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.991 -4.030 6.697 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.451 -3.983 8.804 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.139 -3.719 7.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.677 -6.101 8.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.485 -5.781 6.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.041 -5.964 7.317 1.00 0.00 H new ATOM 392 N CYS A 30 3.988 1.908 4.909 1.00 0.00 N ATOM 393 CA CYS A 30 4.465 3.077 4.180 1.00 0.00 C ATOM 394 C CYS A 30 4.568 4.288 5.101 1.00 0.00 C ATOM 395 O CYS A 30 3.596 4.671 5.754 1.00 0.00 O ATOM 396 CB CYS A 30 3.530 3.390 3.010 1.00 0.00 C ATOM 397 SG CYS A 30 4.276 4.440 1.722 1.00 0.00 S ATOM 0 H CYS A 30 3.286 2.113 5.620 1.00 0.00 H new ATOM 0 HA CYS A 30 5.459 2.852 3.793 1.00 0.00 H new ATOM 0 HB2 CYS A 30 3.206 2.453 2.557 1.00 0.00 H new ATOM 0 HB3 CYS A 30 2.637 3.884 3.394 1.00 0.00 H new ATOM 402 N LYS A 31 5.752 4.889 5.150 1.00 0.00 N ATOM 403 CA LYS A 31 5.984 6.058 5.989 1.00 0.00 C ATOM 404 C LYS A 31 6.733 7.141 5.219 1.00 0.00 C ATOM 405 O LYS A 31 7.784 6.885 4.633 1.00 0.00 O ATOM 406 CB LYS A 31 6.776 5.666 7.238 1.00 0.00 C ATOM 407 CG LYS A 31 7.155 6.847 8.114 1.00 0.00 C ATOM 408 CD LYS A 31 6.006 7.263 9.018 1.00 0.00 C ATOM 409 CE LYS A 31 6.483 8.166 10.146 1.00 0.00 C ATOM 410 NZ LYS A 31 6.556 9.592 9.722 1.00 0.00 N ATOM 0 H LYS A 31 6.567 4.585 4.617 1.00 0.00 H new ATOM 0 HA LYS A 31 5.015 6.455 6.290 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.186 4.963 7.826 1.00 0.00 H new ATOM 0 HB3 LYS A 31 7.683 5.144 6.934 1.00 0.00 H new ATOM 0 HG2 LYS A 31 8.022 6.587 8.722 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.448 7.688 7.486 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.249 7.782 8.430 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.531 6.376 9.437 1.00 0.00 H new ATOM 0 HE2 LYS A 31 5.806 8.074 10.996 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.466 7.837 10.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 6.885 10.175 10.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 7.221 9.684 8.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 5.613 9.914 9.424 1.00 0.00 H new ATOM 424 N ALA A 32 6.185 8.352 5.226 1.00 0.00 N ATOM 425 CA ALA A 32 6.804 9.474 4.531 1.00 0.00 C ATOM 426 C ALA A 32 6.943 10.681 5.453 1.00 0.00 C ATOM 427 O ALA A 32 6.120 10.894 6.344 1.00 0.00 O ATOM 428 CB ALA A 32 5.994 9.841 3.296 1.00 0.00 C ATOM 0 H ALA A 32 5.314 8.581 5.705 1.00 0.00 H new ATOM 0 HA ALA A 32 7.804 9.171 4.220 1.00 0.00 H new ATOM 0 HB1 ALA A 32 6.467 10.680 2.787 1.00 0.00 H new ATOM 0 HB2 ALA A 32 5.950 8.985 2.622 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.983 10.121 3.594 1.00 0.00 H new ATOM 434 N THR A 33 7.991 11.470 5.233 1.00 0.00 N ATOM 435 CA THR A 33 8.238 12.655 6.045 1.00 0.00 C ATOM 436 C THR A 33 8.371 13.899 5.175 1.00 0.00 C ATOM 437 O THR A 33 9.021 13.873 4.131 1.00 0.00 O ATOM 438 CB THR A 33 9.514 12.497 6.894 1.00 0.00 C ATOM 439 OG1 THR A 33 9.781 13.710 7.607 1.00 0.00 O ATOM 440 CG2 THR A 33 10.707 12.146 6.017 1.00 0.00 C ATOM 0 H THR A 33 8.682 11.309 4.500 1.00 0.00 H new ATOM 0 HA THR A 33 7.381 12.769 6.708 1.00 0.00 H new ATOM 0 HB THR A 33 9.353 11.686 7.604 1.00 0.00 H new ATOM 0 HG1 THR A 33 10.592 13.601 8.146 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.596 12.039 6.638 1.00 0.00 H new ATOM 0 HG22 THR A 33 10.513 11.208 5.497 1.00 0.00 H new ATOM 0 HG23 THR A 33 10.867 12.939 5.287 1.00 0.00 H new ATOM 448 N GLY A 34 7.750 14.991 5.613 1.00 0.00 N ATOM 449 CA GLY A 34 7.812 16.231 4.861 1.00 0.00 C ATOM 450 C GLY A 34 6.874 17.288 5.409 1.00 0.00 C ATOM 451 O GLY A 34 6.050 17.005 6.280 1.00 0.00 O ATOM 0 H GLY A 34 7.206 15.039 6.474 1.00 0.00 H new ATOM 0 HA2 GLY A 34 8.833 16.612 4.878 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.562 16.033 3.819 1.00 0.00 H new ATOM 455 N ASP A 35 6.999 18.509 4.901 1.00 0.00 N ATOM 456 CA ASP A 35 6.156 19.613 5.346 1.00 0.00 C ATOM 457 C ASP A 35 5.679 20.444 4.159 1.00 0.00 C ATOM 458 O ASP A 35 6.471 20.922 3.347 1.00 0.00 O ATOM 459 CB ASP A 35 6.918 20.499 6.332 1.00 0.00 C ATOM 460 CG ASP A 35 6.034 21.558 6.961 1.00 0.00 C ATOM 461 OD1 ASP A 35 5.219 21.205 7.840 1.00 0.00 O ATOM 462 OD2 ASP A 35 6.157 22.739 6.576 1.00 0.00 O ATOM 0 H ASP A 35 7.676 18.760 4.181 1.00 0.00 H new ATOM 0 HA ASP A 35 5.284 19.193 5.847 1.00 0.00 H new ATOM 0 HB2 ASP A 35 7.349 19.877 7.116 1.00 0.00 H new ATOM 0 HB3 ASP A 35 7.748 20.982 5.816 1.00 0.00 H new ATOM 467 N PRO A 36 4.353 20.620 4.055 1.00 0.00 N ATOM 468 CA PRO A 36 3.402 20.055 5.015 1.00 0.00 C ATOM 469 C PRO A 36 3.307 18.537 4.913 1.00 0.00 C ATOM 470 O PRO A 36 3.817 17.935 3.967 1.00 0.00 O ATOM 471 CB PRO A 36 2.072 20.702 4.620 1.00 0.00 C ATOM 472 CG PRO A 36 2.230 21.041 3.178 1.00 0.00 C ATOM 473 CD PRO A 36 3.682 21.384 2.990 1.00 0.00 C ATOM 0 HA PRO A 36 3.698 20.252 6.045 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.237 20.019 4.777 1.00 0.00 H new ATOM 0 HB3 PRO A 36 1.872 21.592 5.216 1.00 0.00 H new ATOM 0 HG2 PRO A 36 1.942 20.201 2.546 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.592 21.881 2.902 1.00 0.00 H new ATOM 0 HD2 PRO A 36 4.039 21.094 2.002 1.00 0.00 H new ATOM 0 HD3 PRO A 36 3.858 22.455 3.091 1.00 0.00 H new ATOM 481 N LEU A 37 2.650 17.922 5.891 1.00 0.00 N ATOM 482 CA LEU A 37 2.488 16.472 5.910 1.00 0.00 C ATOM 483 C LEU A 37 1.952 15.967 4.574 1.00 0.00 C ATOM 484 O LEU A 37 0.875 16.356 4.122 1.00 0.00 O ATOM 485 CB LEU A 37 1.543 16.060 7.040 1.00 0.00 C ATOM 486 CG LEU A 37 1.799 14.687 7.662 1.00 0.00 C ATOM 487 CD1 LEU A 37 1.560 13.586 6.641 1.00 0.00 C ATOM 488 CD2 LEU A 37 3.216 14.607 8.213 1.00 0.00 C ATOM 0 H LEU A 37 2.221 18.405 6.681 1.00 0.00 H new ATOM 0 HA LEU A 37 3.467 16.023 6.081 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.603 16.811 7.828 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.522 16.079 6.658 1.00 0.00 H new ATOM 0 HG LEU A 37 1.101 14.547 8.487 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.747 12.616 7.101 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.528 13.630 6.294 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.234 13.722 5.795 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.381 13.623 8.652 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.930 14.768 7.405 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.353 15.372 8.977 1.00 0.00 H new ATOM 500 N PRO A 38 2.718 15.076 3.928 1.00 0.00 N ATOM 501 CA PRO A 38 2.339 14.496 2.636 1.00 0.00 C ATOM 502 C PRO A 38 1.158 13.539 2.755 1.00 0.00 C ATOM 503 O PRO A 38 0.974 12.888 3.783 1.00 0.00 O ATOM 504 CB PRO A 38 3.598 13.739 2.204 1.00 0.00 C ATOM 505 CG PRO A 38 4.305 13.423 3.477 1.00 0.00 C ATOM 506 CD PRO A 38 4.014 14.567 4.408 1.00 0.00 C ATOM 0 HA PRO A 38 2.018 15.258 1.926 1.00 0.00 H new ATOM 0 HB2 PRO A 38 3.346 12.832 1.655 1.00 0.00 H new ATOM 0 HB3 PRO A 38 4.219 14.347 1.546 1.00 0.00 H new ATOM 0 HG2 PRO A 38 3.953 12.480 3.895 1.00 0.00 H new ATOM 0 HG3 PRO A 38 5.377 13.317 3.312 1.00 0.00 H new ATOM 0 HD2 PRO A 38 3.957 14.237 5.445 1.00 0.00 H new ATOM 0 HD3 PRO A 38 4.789 15.332 4.359 1.00 0.00 H new ATOM 514 N VAL A 39 0.359 13.459 1.695 1.00 0.00 N ATOM 515 CA VAL A 39 -0.805 12.580 1.680 1.00 0.00 C ATOM 516 C VAL A 39 -0.456 11.216 1.097 1.00 0.00 C ATOM 517 O VAL A 39 -0.075 11.107 -0.069 1.00 0.00 O ATOM 518 CB VAL A 39 -1.961 13.193 0.868 1.00 0.00 C ATOM 519 CG1 VAL A 39 -3.098 12.195 0.719 1.00 0.00 C ATOM 520 CG2 VAL A 39 -2.449 14.477 1.522 1.00 0.00 C ATOM 0 H VAL A 39 0.496 13.992 0.836 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.123 12.458 2.715 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.592 13.437 -0.128 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -3.905 12.647 0.142 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.736 11.306 0.202 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.469 11.916 1.705 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.266 14.897 0.935 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.801 14.261 2.531 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.630 15.195 1.570 1.00 0.00 H new ATOM 530 N ILE A 40 -0.589 10.177 1.915 1.00 0.00 N ATOM 531 CA ILE A 40 -0.289 8.819 1.479 1.00 0.00 C ATOM 532 C ILE A 40 -1.380 8.284 0.558 1.00 0.00 C ATOM 533 O ILE A 40 -2.488 7.980 1.001 1.00 0.00 O ATOM 534 CB ILE A 40 -0.132 7.865 2.678 1.00 0.00 C ATOM 535 CG1 ILE A 40 0.998 8.343 3.593 1.00 0.00 C ATOM 536 CG2 ILE A 40 0.134 6.447 2.195 1.00 0.00 C ATOM 537 CD1 ILE A 40 2.353 8.361 2.921 1.00 0.00 C ATOM 0 H ILE A 40 -0.902 10.250 2.883 1.00 0.00 H new ATOM 0 HA ILE A 40 0.654 8.863 0.934 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.061 7.865 3.248 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.765 9.346 3.950 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.044 7.695 4.469 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.243 5.785 3.054 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.700 6.110 1.580 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.050 6.429 1.605 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.105 8.710 3.628 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.607 7.355 2.588 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.324 9.031 2.062 1.00 0.00 H new ATOM 549 N SER A 41 -1.058 8.169 -0.727 1.00 0.00 N ATOM 550 CA SER A 41 -2.012 7.672 -1.712 1.00 0.00 C ATOM 551 C SER A 41 -1.435 6.482 -2.473 1.00 0.00 C ATOM 552 O SER A 41 -0.298 6.525 -2.944 1.00 0.00 O ATOM 553 CB SER A 41 -2.391 8.784 -2.692 1.00 0.00 C ATOM 554 OG SER A 41 -1.321 9.696 -2.868 1.00 0.00 O ATOM 0 H SER A 41 -0.145 8.413 -1.110 1.00 0.00 H new ATOM 0 HA SER A 41 -2.907 7.344 -1.183 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.663 8.348 -3.653 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.268 9.315 -2.323 1.00 0.00 H new ATOM 0 HG SER A 41 -1.588 10.396 -3.500 1.00 0.00 H new ATOM 560 N TRP A 42 -2.227 5.423 -2.590 1.00 0.00 N ATOM 561 CA TRP A 42 -1.797 4.220 -3.295 1.00 0.00 C ATOM 562 C TRP A 42 -2.481 4.110 -4.652 1.00 0.00 C ATOM 563 O TRP A 42 -3.660 4.438 -4.793 1.00 0.00 O ATOM 564 CB TRP A 42 -2.097 2.978 -2.455 1.00 0.00 C ATOM 565 CG TRP A 42 -1.488 3.023 -1.087 1.00 0.00 C ATOM 566 CD1 TRP A 42 -1.923 3.755 -0.020 1.00 0.00 C ATOM 567 CD2 TRP A 42 -0.331 2.308 -0.640 1.00 0.00 C ATOM 568 NE1 TRP A 42 -1.107 3.538 1.064 1.00 0.00 N ATOM 569 CE2 TRP A 42 -0.123 2.653 0.709 1.00 0.00 C ATOM 570 CE3 TRP A 42 0.548 1.407 -1.248 1.00 0.00 C ATOM 571 CZ2 TRP A 42 0.928 2.130 1.458 1.00 0.00 C ATOM 572 CZ3 TRP A 42 1.591 0.889 -0.504 1.00 0.00 C ATOM 573 CH2 TRP A 42 1.774 1.251 0.838 1.00 0.00 C ATOM 0 H TRP A 42 -3.171 5.372 -2.206 1.00 0.00 H new ATOM 0 HA TRP A 42 -0.721 4.289 -3.457 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -3.177 2.865 -2.360 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -1.729 2.096 -2.980 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -2.783 4.409 -0.027 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -1.216 3.966 1.983 1.00 0.00 H new ATOM 0 HE3 TRP A 42 0.414 1.121 -2.281 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 1.070 2.408 2.492 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 2.277 0.193 -0.964 1.00 0.00 H new ATOM 0 HH2 TRP A 42 2.598 0.828 1.393 1.00 0.00 H new ATOM 584 N LEU A 43 -1.736 3.647 -5.650 1.00 0.00 N ATOM 585 CA LEU A 43 -2.272 3.494 -6.998 1.00 0.00 C ATOM 586 C LEU A 43 -2.040 2.079 -7.518 1.00 0.00 C ATOM 587 O LEU A 43 -0.900 1.630 -7.641 1.00 0.00 O ATOM 588 CB LEU A 43 -1.628 4.509 -7.943 1.00 0.00 C ATOM 589 CG LEU A 43 -2.028 5.970 -7.733 1.00 0.00 C ATOM 590 CD1 LEU A 43 -1.114 6.893 -8.523 1.00 0.00 C ATOM 591 CD2 LEU A 43 -3.481 6.188 -8.130 1.00 0.00 C ATOM 0 H LEU A 43 -0.759 3.371 -5.551 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.346 3.676 -6.958 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.545 4.432 -7.844 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.875 4.229 -8.967 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.922 6.207 -6.674 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.414 7.928 -8.361 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.085 6.757 -8.191 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.187 6.656 -9.584 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.748 7.233 -7.974 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.613 5.933 -9.181 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.124 5.554 -7.519 1.00 0.00 H new ATOM 603 N LYS A 44 -3.128 1.381 -7.825 1.00 0.00 N ATOM 604 CA LYS A 44 -3.044 0.018 -8.337 1.00 0.00 C ATOM 605 C LYS A 44 -2.859 0.015 -9.851 1.00 0.00 C ATOM 606 O LYS A 44 -3.798 0.283 -10.600 1.00 0.00 O ATOM 607 CB LYS A 44 -4.304 -0.767 -7.965 1.00 0.00 C ATOM 608 CG LYS A 44 -4.294 -2.203 -8.458 1.00 0.00 C ATOM 609 CD LYS A 44 -5.665 -2.846 -8.330 1.00 0.00 C ATOM 610 CE LYS A 44 -5.559 -4.349 -8.124 1.00 0.00 C ATOM 611 NZ LYS A 44 -5.195 -4.692 -6.721 1.00 0.00 N ATOM 0 H LYS A 44 -4.079 1.737 -7.728 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.177 -0.461 -7.882 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.416 -0.765 -6.881 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.175 -0.257 -8.377 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.975 -2.229 -9.500 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.566 -2.780 -7.887 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.200 -2.400 -7.492 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.249 -2.641 -9.227 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.510 -4.818 -8.378 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.811 -4.757 -8.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -4.775 -5.643 -6.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.507 -3.999 -6.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.048 -4.673 -6.127 1.00 0.00 H new ATOM 625 N GLU A 45 -1.643 -0.291 -10.293 1.00 0.00 N ATOM 626 CA GLU A 45 -1.337 -0.329 -11.718 1.00 0.00 C ATOM 627 C GLU A 45 -1.641 1.014 -12.376 1.00 0.00 C ATOM 628 O GLU A 45 -2.169 1.069 -13.486 1.00 0.00 O ATOM 629 CB GLU A 45 -2.137 -1.438 -12.405 1.00 0.00 C ATOM 630 CG GLU A 45 -1.694 -2.839 -12.017 1.00 0.00 C ATOM 631 CD GLU A 45 -1.962 -3.858 -13.106 1.00 0.00 C ATOM 632 OE1 GLU A 45 -1.165 -3.924 -14.066 1.00 0.00 O ATOM 633 OE2 GLU A 45 -2.968 -4.590 -13.001 1.00 0.00 O ATOM 0 H GLU A 45 -0.855 -0.516 -9.686 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.273 -0.536 -11.829 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.192 -1.319 -12.159 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.047 -1.324 -13.485 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.628 -2.829 -11.789 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -2.212 -3.141 -11.107 1.00 0.00 H new ATOM 640 N GLY A 46 -1.302 2.096 -11.682 1.00 0.00 N ATOM 641 CA GLY A 46 -1.546 3.424 -12.213 1.00 0.00 C ATOM 642 C GLY A 46 -3.005 3.825 -12.124 1.00 0.00 C ATOM 643 O GLY A 46 -3.445 4.751 -12.806 1.00 0.00 O ATOM 0 H GLY A 46 -0.863 2.076 -10.762 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -0.940 4.147 -11.667 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.225 3.460 -13.254 1.00 0.00 H new ATOM 647 N PHE A 47 -3.759 3.126 -11.282 1.00 0.00 N ATOM 648 CA PHE A 47 -5.179 3.412 -11.109 1.00 0.00 C ATOM 649 C PHE A 47 -5.493 3.744 -9.653 1.00 0.00 C ATOM 650 O PHE A 47 -4.734 3.396 -8.747 1.00 0.00 O ATOM 651 CB PHE A 47 -6.021 2.219 -11.565 1.00 0.00 C ATOM 652 CG PHE A 47 -5.878 1.909 -13.028 1.00 0.00 C ATOM 653 CD1 PHE A 47 -6.525 2.680 -13.980 1.00 0.00 C ATOM 654 CD2 PHE A 47 -5.097 0.845 -13.451 1.00 0.00 C ATOM 655 CE1 PHE A 47 -6.395 2.398 -15.327 1.00 0.00 C ATOM 656 CE2 PHE A 47 -4.963 0.559 -14.796 1.00 0.00 C ATOM 657 CZ PHE A 47 -5.614 1.335 -15.735 1.00 0.00 C ATOM 0 H PHE A 47 -3.411 2.358 -10.709 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.427 4.278 -11.723 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -5.736 1.341 -10.986 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -7.070 2.419 -11.345 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -7.138 3.512 -13.666 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -4.588 0.233 -12.721 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -6.903 3.008 -16.059 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -4.349 -0.271 -15.113 1.00 0.00 H new ATOM 0 HZ PHE A 47 -5.512 1.111 -16.787 1.00 0.00 H new ATOM 667 N THR A 48 -6.617 4.419 -9.435 1.00 0.00 N ATOM 668 CA THR A 48 -7.032 4.800 -8.091 1.00 0.00 C ATOM 669 C THR A 48 -7.016 3.600 -7.150 1.00 0.00 C ATOM 670 O THR A 48 -7.283 2.472 -7.563 1.00 0.00 O ATOM 671 CB THR A 48 -8.442 5.418 -8.092 1.00 0.00 C ATOM 672 OG1 THR A 48 -8.760 5.917 -6.788 1.00 0.00 O ATOM 673 CG2 THR A 48 -9.483 4.392 -8.515 1.00 0.00 C ATOM 0 H THR A 48 -7.257 4.713 -10.173 1.00 0.00 H new ATOM 0 HA THR A 48 -6.318 5.544 -7.739 1.00 0.00 H new ATOM 0 HB THR A 48 -8.453 6.240 -8.808 1.00 0.00 H new ATOM 0 HG1 THR A 48 -9.658 6.310 -6.798 1.00 0.00 H new ATOM 0 HG21 THR A 48 -10.471 4.852 -8.508 1.00 0.00 H new ATOM 0 HG22 THR A 48 -9.256 4.036 -9.520 1.00 0.00 H new ATOM 0 HG23 THR A 48 -9.469 3.552 -7.821 1.00 0.00 H new ATOM 681 N PHE A 49 -6.701 3.851 -5.884 1.00 0.00 N ATOM 682 CA PHE A 49 -6.650 2.791 -4.884 1.00 0.00 C ATOM 683 C PHE A 49 -6.461 3.371 -3.485 1.00 0.00 C ATOM 684 O PHE A 49 -5.680 4.299 -3.271 1.00 0.00 O ATOM 685 CB PHE A 49 -5.516 1.815 -5.202 1.00 0.00 C ATOM 686 CG PHE A 49 -5.712 0.451 -4.604 1.00 0.00 C ATOM 687 CD1 PHE A 49 -6.721 -0.381 -5.062 1.00 0.00 C ATOM 688 CD2 PHE A 49 -4.889 0.002 -3.584 1.00 0.00 C ATOM 689 CE1 PHE A 49 -6.904 -1.637 -4.514 1.00 0.00 C ATOM 690 CE2 PHE A 49 -5.068 -1.252 -3.033 1.00 0.00 C ATOM 691 CZ PHE A 49 -6.077 -2.073 -3.497 1.00 0.00 C ATOM 0 H PHE A 49 -6.477 4.779 -5.526 1.00 0.00 H new ATOM 0 HA PHE A 49 -7.599 2.255 -4.910 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -5.423 1.719 -6.284 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -4.577 2.231 -4.837 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -7.372 -0.045 -5.856 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -4.099 0.639 -3.216 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -7.693 -2.277 -4.881 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -4.419 -1.591 -2.239 1.00 0.00 H new ATOM 0 HZ PHE A 49 -6.219 -3.053 -3.066 1.00 0.00 H new ATOM 701 N PRO A 50 -7.192 2.812 -2.509 1.00 0.00 N ATOM 702 CA PRO A 50 -8.124 1.707 -2.753 1.00 0.00 C ATOM 703 C PRO A 50 -9.347 2.146 -3.552 1.00 0.00 C ATOM 704 O PRO A 50 -9.806 1.434 -4.444 1.00 0.00 O ATOM 705 CB PRO A 50 -8.534 1.272 -1.344 1.00 0.00 C ATOM 706 CG PRO A 50 -8.338 2.485 -0.501 1.00 0.00 C ATOM 707 CD PRO A 50 -7.165 3.216 -1.094 1.00 0.00 C ATOM 0 HA PRO A 50 -7.669 0.912 -3.344 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -9.571 0.936 -1.319 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -7.921 0.442 -0.992 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -9.230 3.111 -0.504 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -8.144 2.212 0.536 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.266 4.296 -0.982 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -6.229 2.932 -0.613 1.00 0.00 H new ATOM 715 N GLY A 51 -9.870 3.324 -3.225 1.00 0.00 N ATOM 716 CA GLY A 51 -11.035 3.837 -3.923 1.00 0.00 C ATOM 717 C GLY A 51 -12.335 3.437 -3.253 1.00 0.00 C ATOM 718 O GLY A 51 -12.994 2.489 -3.679 1.00 0.00 O ATOM 0 H GLY A 51 -9.508 3.932 -2.490 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.975 4.924 -3.973 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -11.031 3.470 -4.949 1.00 0.00 H new ATOM 772 N ARG A 55 -13.426 -3.432 1.871 1.00 0.00 N ATOM 773 CA ARG A 55 -12.387 -4.216 2.528 1.00 0.00 C ATOM 774 C ARG A 55 -11.055 -3.473 2.517 1.00 0.00 C ATOM 775 O ARG A 55 -10.300 -3.516 3.488 1.00 0.00 O ATOM 776 CB ARG A 55 -12.232 -5.574 1.841 1.00 0.00 C ATOM 777 CG ARG A 55 -11.357 -5.531 0.599 1.00 0.00 C ATOM 778 CD ARG A 55 -11.521 -6.788 -0.241 1.00 0.00 C ATOM 779 NE ARG A 55 -12.583 -6.648 -1.234 1.00 0.00 N ATOM 780 CZ ARG A 55 -12.409 -6.079 -2.421 1.00 0.00 C ATOM 781 NH1 ARG A 55 -11.220 -5.600 -2.763 1.00 0.00 N ATOM 782 NH2 ARG A 55 -13.424 -5.989 -3.270 1.00 0.00 N ATOM 0 HA ARG A 55 -12.686 -4.373 3.564 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -11.807 -6.284 2.550 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -13.219 -5.948 1.568 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -11.614 -4.656 0.001 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -10.313 -5.421 0.892 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -10.581 -7.012 -0.745 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -11.743 -7.633 0.411 1.00 0.00 H new ATOM 0 HE ARG A 55 -13.509 -7.007 -1.003 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -10.437 -5.668 -2.113 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -11.089 -5.163 -3.676 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -14.339 -6.357 -3.011 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -13.289 -5.552 -4.182 1.00 0.00 H new ATOM 796 N ALA A 56 -10.773 -2.791 1.411 1.00 0.00 N ATOM 797 CA ALA A 56 -9.533 -2.037 1.274 1.00 0.00 C ATOM 798 C ALA A 56 -9.654 -0.660 1.916 1.00 0.00 C ATOM 799 O ALA A 56 -10.491 0.151 1.518 1.00 0.00 O ATOM 800 CB ALA A 56 -9.155 -1.906 -0.194 1.00 0.00 C ATOM 0 H ALA A 56 -11.387 -2.745 0.597 1.00 0.00 H new ATOM 0 HA ALA A 56 -8.745 -2.583 1.794 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.227 -1.341 -0.282 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -9.018 -2.898 -0.624 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -9.949 -1.385 -0.729 1.00 0.00 H new ATOM 806 N THR A 57 -8.813 -0.400 2.913 1.00 0.00 N ATOM 807 CA THR A 57 -8.827 0.879 3.611 1.00 0.00 C ATOM 808 C THR A 57 -7.411 1.359 3.908 1.00 0.00 C ATOM 809 O THR A 57 -6.446 0.612 3.745 1.00 0.00 O ATOM 810 CB THR A 57 -9.614 0.788 4.932 1.00 0.00 C ATOM 811 OG1 THR A 57 -9.893 2.103 5.428 1.00 0.00 O ATOM 812 CG2 THR A 57 -8.833 0.003 5.975 1.00 0.00 C ATOM 0 H THR A 57 -8.114 -1.059 3.255 1.00 0.00 H new ATOM 0 HA THR A 57 -9.319 1.594 2.952 1.00 0.00 H new ATOM 0 HB THR A 57 -10.551 0.267 4.735 1.00 0.00 H new ATOM 0 HG1 THR A 57 -10.395 2.036 6.267 1.00 0.00 H new ATOM 0 HG21 THR A 57 -9.409 -0.048 6.899 1.00 0.00 H new ATOM 0 HG22 THR A 57 -8.648 -1.006 5.607 1.00 0.00 H new ATOM 0 HG23 THR A 57 -7.882 0.500 6.167 1.00 0.00 H new ATOM 820 N ILE A 58 -7.295 2.608 4.346 1.00 0.00 N ATOM 821 CA ILE A 58 -5.996 3.186 4.667 1.00 0.00 C ATOM 822 C ILE A 58 -5.938 3.633 6.124 1.00 0.00 C ATOM 823 O ILE A 58 -6.939 4.079 6.686 1.00 0.00 O ATOM 824 CB ILE A 58 -5.674 4.388 3.760 1.00 0.00 C ATOM 825 CG1 ILE A 58 -5.555 3.937 2.303 1.00 0.00 C ATOM 826 CG2 ILE A 58 -4.393 5.069 4.216 1.00 0.00 C ATOM 827 CD1 ILE A 58 -5.446 5.084 1.322 1.00 0.00 C ATOM 0 H ILE A 58 -8.084 3.239 4.487 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.254 2.406 4.499 1.00 0.00 H new ATOM 0 HB ILE A 58 -6.489 5.108 3.833 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.679 3.297 2.200 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -6.424 3.331 2.046 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.180 5.916 3.564 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.513 5.420 5.241 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.567 4.359 4.170 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -5.365 4.690 0.309 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -6.333 5.712 1.397 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.561 5.677 1.553 1.00 0.00 H new ATOM 888 N GLY A 62 -1.116 5.719 6.750 1.00 0.00 N ATOM 889 CA GLY A 62 -0.999 5.409 5.337 1.00 0.00 C ATOM 890 C GLY A 62 -0.939 3.918 5.074 1.00 0.00 C ATOM 891 O GLY A 62 -1.029 3.477 3.927 1.00 0.00 O ATOM 0 HA2 GLY A 62 -1.848 5.835 4.803 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -0.102 5.882 4.938 1.00 0.00 H new ATOM 895 N THR A 63 -0.784 3.136 6.138 1.00 0.00 N ATOM 896 CA THR A 63 -0.709 1.686 6.016 1.00 0.00 C ATOM 897 C THR A 63 -1.953 1.126 5.335 1.00 0.00 C ATOM 898 O THR A 63 -3.015 1.018 5.951 1.00 0.00 O ATOM 899 CB THR A 63 -0.546 1.014 7.393 1.00 0.00 C ATOM 900 OG1 THR A 63 0.628 1.513 8.045 1.00 0.00 O ATOM 901 CG2 THR A 63 -0.449 -0.497 7.250 1.00 0.00 C ATOM 0 H THR A 63 -0.708 3.483 7.094 1.00 0.00 H new ATOM 0 HA THR A 63 0.167 1.465 5.406 1.00 0.00 H new ATOM 0 HB THR A 63 -1.424 1.250 7.994 1.00 0.00 H new ATOM 0 HG1 THR A 63 0.724 1.083 8.920 1.00 0.00 H new ATOM 0 HG21 THR A 63 -0.334 -0.949 8.235 1.00 0.00 H new ATOM 0 HG22 THR A 63 -1.356 -0.877 6.780 1.00 0.00 H new ATOM 0 HG23 THR A 63 0.413 -0.749 6.633 1.00 0.00 H new ATOM 909 N LEU A 64 -1.816 0.771 4.063 1.00 0.00 N ATOM 910 CA LEU A 64 -2.929 0.220 3.298 1.00 0.00 C ATOM 911 C LEU A 64 -3.262 -1.194 3.761 1.00 0.00 C ATOM 912 O LEU A 64 -2.378 -2.041 3.884 1.00 0.00 O ATOM 913 CB LEU A 64 -2.595 0.215 1.805 1.00 0.00 C ATOM 914 CG LEU A 64 -3.775 0.017 0.853 1.00 0.00 C ATOM 915 CD1 LEU A 64 -3.520 0.727 -0.467 1.00 0.00 C ATOM 916 CD2 LEU A 64 -4.033 -1.465 0.623 1.00 0.00 C ATOM 0 H LEU A 64 -0.945 0.855 3.539 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.801 0.852 3.467 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.110 1.160 1.559 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.867 -0.575 1.619 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.663 0.452 1.311 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.370 0.575 -1.132 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.386 1.794 -0.287 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.620 0.322 -0.930 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.876 -1.586 -0.057 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.146 -1.925 0.187 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.262 -1.946 1.574 1.00 0.00 H new ATOM 928 N GLN A 65 -4.543 -1.442 4.014 1.00 0.00 N ATOM 929 CA GLN A 65 -4.992 -2.755 4.462 1.00 0.00 C ATOM 930 C GLN A 65 -6.129 -3.270 3.586 1.00 0.00 C ATOM 931 O GLN A 65 -7.132 -2.584 3.387 1.00 0.00 O ATOM 932 CB GLN A 65 -5.446 -2.692 5.922 1.00 0.00 C ATOM 933 CG GLN A 65 -6.023 -4.000 6.437 1.00 0.00 C ATOM 934 CD GLN A 65 -6.442 -3.921 7.892 1.00 0.00 C ATOM 935 OE1 GLN A 65 -6.002 -3.038 8.629 1.00 0.00 O ATOM 936 NE2 GLN A 65 -7.298 -4.845 8.313 1.00 0.00 N ATOM 0 H GLN A 65 -5.288 -0.752 3.917 1.00 0.00 H new ATOM 0 HA GLN A 65 -4.153 -3.445 4.379 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -4.598 -2.408 6.545 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -6.196 -1.908 6.027 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -6.885 -4.277 5.829 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.282 -4.791 6.319 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -7.637 -5.558 7.667 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -7.617 -4.841 9.282 1.00 0.00 H new ATOM 945 N ILE A 66 -5.965 -4.481 3.064 1.00 0.00 N ATOM 946 CA ILE A 66 -6.978 -5.088 2.209 1.00 0.00 C ATOM 947 C ILE A 66 -7.459 -6.415 2.784 1.00 0.00 C ATOM 948 O ILE A 66 -6.835 -7.457 2.579 1.00 0.00 O ATOM 949 CB ILE A 66 -6.445 -5.321 0.783 1.00 0.00 C ATOM 950 CG1 ILE A 66 -5.622 -4.118 0.319 1.00 0.00 C ATOM 951 CG2 ILE A 66 -7.596 -5.584 -0.176 1.00 0.00 C ATOM 952 CD1 ILE A 66 -4.744 -4.411 -0.877 1.00 0.00 C ATOM 0 H ILE A 66 -5.140 -5.061 3.218 1.00 0.00 H new ATOM 0 HA ILE A 66 -7.814 -4.390 2.165 1.00 0.00 H new ATOM 0 HB ILE A 66 -5.798 -6.198 0.792 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -6.298 -3.300 0.071 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -4.996 -3.776 1.144 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.203 -5.747 -1.180 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.144 -6.469 0.147 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -8.267 -4.725 -0.184 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.190 -3.513 -1.150 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.043 -5.208 -0.628 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.365 -4.724 -1.716 1.00 0.00 H new ATOM 964 N LYS A 67 -8.575 -6.372 3.504 1.00 0.00 N ATOM 965 CA LYS A 67 -9.144 -7.572 4.107 1.00 0.00 C ATOM 966 C LYS A 67 -9.846 -8.428 3.058 1.00 0.00 C ATOM 967 O LYS A 67 -10.305 -7.920 2.036 1.00 0.00 O ATOM 968 CB LYS A 67 -10.129 -7.193 5.215 1.00 0.00 C ATOM 969 CG LYS A 67 -9.485 -6.454 6.375 1.00 0.00 C ATOM 970 CD LYS A 67 -10.328 -6.553 7.636 1.00 0.00 C ATOM 971 CE LYS A 67 -9.964 -7.782 8.454 1.00 0.00 C ATOM 972 NZ LYS A 67 -10.201 -7.570 9.909 1.00 0.00 N ATOM 0 H LYS A 67 -9.104 -5.519 3.684 1.00 0.00 H new ATOM 0 HA LYS A 67 -8.329 -8.153 4.538 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -10.917 -6.571 4.791 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -10.605 -8.098 5.591 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.494 -6.866 6.565 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -9.348 -5.406 6.109 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -10.187 -5.657 8.241 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -11.384 -6.593 7.367 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -10.551 -8.634 8.111 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -8.916 -8.030 8.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -9.941 -8.430 10.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -9.622 -6.773 10.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -11.206 -7.358 10.070 1.00 0.00 H new ATOM 986 N ASN A 68 -9.927 -9.728 3.319 1.00 0.00 N ATOM 987 CA ASN A 68 -10.575 -10.654 2.397 1.00 0.00 C ATOM 988 C ASN A 68 -9.907 -10.613 1.026 1.00 0.00 C ATOM 989 O ASN A 68 -10.568 -10.412 0.007 1.00 0.00 O ATOM 990 CB ASN A 68 -12.061 -10.316 2.263 1.00 0.00 C ATOM 991 CG ASN A 68 -12.890 -10.888 3.397 1.00 0.00 C ATOM 992 OD1 ASN A 68 -13.548 -11.917 3.242 1.00 0.00 O ATOM 993 ND2 ASN A 68 -12.860 -10.222 4.545 1.00 0.00 N ATOM 0 H ASN A 68 -9.552 -10.165 4.161 1.00 0.00 H new ATOM 0 HA ASN A 68 -10.473 -11.661 2.801 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -12.183 -9.233 2.238 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -12.434 -10.701 1.314 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -13.397 -10.559 5.344 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -12.300 -9.373 4.628 1.00 0.00 H new ATOM 1000 N LEU A 69 -8.593 -10.807 1.009 1.00 0.00 N ATOM 1001 CA LEU A 69 -7.834 -10.793 -0.237 1.00 0.00 C ATOM 1002 C LEU A 69 -8.483 -11.697 -1.280 1.00 0.00 C ATOM 1003 O LEU A 69 -9.399 -12.460 -0.971 1.00 0.00 O ATOM 1004 CB LEU A 69 -6.393 -11.241 0.016 1.00 0.00 C ATOM 1005 CG LEU A 69 -5.586 -10.384 0.992 1.00 0.00 C ATOM 1006 CD1 LEU A 69 -4.357 -11.139 1.475 1.00 0.00 C ATOM 1007 CD2 LEU A 69 -5.183 -9.069 0.340 1.00 0.00 C ATOM 0 H LEU A 69 -8.031 -10.976 1.843 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.829 -9.772 -0.620 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.412 -12.264 0.392 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.867 -11.262 -0.939 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.214 -10.162 1.855 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.795 -10.514 2.169 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.667 -12.053 1.981 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.727 -11.392 0.622 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.610 -8.472 1.049 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.573 -9.271 -0.541 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.077 -8.521 0.044 1.00 0.00 H new ATOM 1019 N ARG A 70 -8.002 -11.607 -2.515 1.00 0.00 N ATOM 1020 CA ARG A 70 -8.535 -12.417 -3.604 1.00 0.00 C ATOM 1021 C ARG A 70 -7.518 -12.546 -4.734 1.00 0.00 C ATOM 1022 O ARG A 70 -6.741 -11.626 -4.992 1.00 0.00 O ATOM 1023 CB ARG A 70 -9.831 -11.803 -4.137 1.00 0.00 C ATOM 1024 CG ARG A 70 -10.870 -11.542 -3.059 1.00 0.00 C ATOM 1025 CD ARG A 70 -12.183 -11.060 -3.656 1.00 0.00 C ATOM 1026 NE ARG A 70 -12.740 -12.024 -4.601 1.00 0.00 N ATOM 1027 CZ ARG A 70 -12.396 -12.080 -5.883 1.00 0.00 C ATOM 1028 NH1 ARG A 70 -11.501 -11.232 -6.370 1.00 0.00 N ATOM 1029 NH2 ARG A 70 -12.948 -12.986 -6.680 1.00 0.00 N ATOM 0 H ARG A 70 -7.244 -10.981 -2.787 1.00 0.00 H new ATOM 0 HA ARG A 70 -8.746 -13.413 -3.214 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -9.598 -10.865 -4.640 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -10.257 -12.469 -4.887 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -11.042 -12.455 -2.489 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -10.491 -10.796 -2.360 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -12.901 -10.880 -2.856 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -12.024 -10.107 -4.161 1.00 0.00 H new ATOM 0 HE ARG A 70 -13.431 -12.691 -4.258 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -11.075 -10.534 -5.760 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -11.239 -11.277 -7.355 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -13.637 -13.640 -6.308 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -12.683 -13.028 -7.664 1.00 0.00 H new ATOM 1043 N ILE A 71 -7.528 -13.694 -5.404 1.00 0.00 N ATOM 1044 CA ILE A 71 -6.607 -13.942 -6.506 1.00 0.00 C ATOM 1045 C ILE A 71 -6.643 -12.804 -7.520 1.00 0.00 C ATOM 1046 O ILE A 71 -5.657 -12.540 -8.207 1.00 0.00 O ATOM 1047 CB ILE A 71 -6.932 -15.265 -7.224 1.00 0.00 C ATOM 1048 CG1 ILE A 71 -6.935 -16.425 -6.226 1.00 0.00 C ATOM 1049 CG2 ILE A 71 -5.931 -15.522 -8.340 1.00 0.00 C ATOM 1050 CD1 ILE A 71 -5.574 -16.718 -5.636 1.00 0.00 C ATOM 0 H ILE A 71 -8.163 -14.466 -5.203 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.609 -14.008 -6.074 1.00 0.00 H new ATOM 0 HB ILE A 71 -7.926 -15.187 -7.665 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -7.631 -16.197 -5.418 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -7.307 -17.321 -6.724 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -6.174 -16.461 -8.838 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -5.974 -14.707 -9.062 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -4.927 -15.583 -7.921 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -5.652 -17.551 -4.938 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -4.879 -16.978 -6.435 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -5.208 -15.836 -5.109 1.00 0.00 H new ATOM 1062 N SER A 72 -7.787 -12.132 -7.607 1.00 0.00 N ATOM 1063 CA SER A 72 -7.953 -11.023 -8.539 1.00 0.00 C ATOM 1064 C SER A 72 -7.316 -9.751 -7.988 1.00 0.00 C ATOM 1065 O SER A 72 -6.949 -8.850 -8.742 1.00 0.00 O ATOM 1066 CB SER A 72 -9.437 -10.783 -8.819 1.00 0.00 C ATOM 1067 OG SER A 72 -9.621 -10.119 -10.057 1.00 0.00 O ATOM 0 H SER A 72 -8.612 -12.336 -7.043 1.00 0.00 H new ATOM 0 HA SER A 72 -7.452 -11.285 -9.471 1.00 0.00 H new ATOM 0 HB2 SER A 72 -9.967 -11.736 -8.831 1.00 0.00 H new ATOM 0 HB3 SER A 72 -9.870 -10.188 -8.015 1.00 0.00 H new ATOM 0 HG SER A 72 -10.578 -9.979 -10.214 1.00 0.00 H new ATOM 1073 N ASP A 73 -7.188 -9.685 -6.667 1.00 0.00 N ATOM 1074 CA ASP A 73 -6.594 -8.524 -6.013 1.00 0.00 C ATOM 1075 C ASP A 73 -5.116 -8.398 -6.367 1.00 0.00 C ATOM 1076 O ASP A 73 -4.542 -7.310 -6.308 1.00 0.00 O ATOM 1077 CB ASP A 73 -6.762 -8.626 -4.496 1.00 0.00 C ATOM 1078 CG ASP A 73 -8.208 -8.484 -4.063 1.00 0.00 C ATOM 1079 OD1 ASP A 73 -8.923 -7.645 -4.649 1.00 0.00 O ATOM 1080 OD2 ASP A 73 -8.624 -9.212 -3.137 1.00 0.00 O ATOM 0 H ASP A 73 -7.487 -10.422 -6.028 1.00 0.00 H new ATOM 0 HA ASP A 73 -7.111 -7.633 -6.369 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -6.376 -9.586 -4.154 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -6.164 -7.853 -4.014 1.00 0.00 H new ATOM 1085 N THR A 74 -4.503 -9.520 -6.734 1.00 0.00 N ATOM 1086 CA THR A 74 -3.091 -9.536 -7.095 1.00 0.00 C ATOM 1087 C THR A 74 -2.765 -8.428 -8.091 1.00 0.00 C ATOM 1088 O THR A 74 -3.115 -8.514 -9.267 1.00 0.00 O ATOM 1089 CB THR A 74 -2.681 -10.891 -7.701 1.00 0.00 C ATOM 1090 OG1 THR A 74 -2.810 -11.926 -6.719 1.00 0.00 O ATOM 1091 CG2 THR A 74 -1.249 -10.845 -8.211 1.00 0.00 C ATOM 0 H THR A 74 -4.963 -10.429 -6.789 1.00 0.00 H new ATOM 0 HA THR A 74 -2.529 -9.372 -6.176 1.00 0.00 H new ATOM 0 HB THR A 74 -3.342 -11.103 -8.541 1.00 0.00 H new ATOM 0 HG1 THR A 74 -2.549 -12.785 -7.113 1.00 0.00 H new ATOM 0 HG21 THR A 74 -0.982 -11.813 -8.634 1.00 0.00 H new ATOM 0 HG22 THR A 74 -1.161 -10.076 -8.979 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.576 -10.612 -7.386 1.00 0.00 H new ATOM 1099 N GLY A 75 -2.092 -7.386 -7.611 1.00 0.00 N ATOM 1100 CA GLY A 75 -1.730 -6.277 -8.473 1.00 0.00 C ATOM 1101 C GLY A 75 -0.465 -5.577 -8.017 1.00 0.00 C ATOM 1102 O GLY A 75 0.279 -6.101 -7.186 1.00 0.00 O ATOM 0 H GLY A 75 -1.792 -7.291 -6.641 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.593 -6.642 -9.491 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.550 -5.559 -8.499 1.00 0.00 H new ATOM 1106 N THR A 76 -0.217 -4.390 -8.561 1.00 0.00 N ATOM 1107 CA THR A 76 0.968 -3.618 -8.208 1.00 0.00 C ATOM 1108 C THR A 76 0.592 -2.219 -7.735 1.00 0.00 C ATOM 1109 O THR A 76 0.335 -1.328 -8.545 1.00 0.00 O ATOM 1110 CB THR A 76 1.938 -3.503 -9.398 1.00 0.00 C ATOM 1111 OG1 THR A 76 2.536 -4.775 -9.669 1.00 0.00 O ATOM 1112 CG2 THR A 76 3.025 -2.477 -9.113 1.00 0.00 C ATOM 0 H THR A 76 -0.822 -3.942 -9.249 1.00 0.00 H new ATOM 0 HA THR A 76 1.463 -4.151 -7.396 1.00 0.00 H new ATOM 0 HB THR A 76 1.371 -3.176 -10.269 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.150 -4.693 -10.428 1.00 0.00 H new ATOM 0 HG21 THR A 76 3.698 -2.413 -9.968 1.00 0.00 H new ATOM 0 HG22 THR A 76 2.569 -1.503 -8.937 1.00 0.00 H new ATOM 0 HG23 THR A 76 3.588 -2.779 -8.230 1.00 0.00 H new ATOM 1120 N TYR A 77 0.563 -2.032 -6.420 1.00 0.00 N ATOM 1121 CA TYR A 77 0.217 -0.740 -5.839 1.00 0.00 C ATOM 1122 C TYR A 77 1.415 0.205 -5.859 1.00 0.00 C ATOM 1123 O TYR A 77 2.550 -0.216 -6.085 1.00 0.00 O ATOM 1124 CB TYR A 77 -0.282 -0.919 -4.405 1.00 0.00 C ATOM 1125 CG TYR A 77 0.385 -2.060 -3.670 1.00 0.00 C ATOM 1126 CD1 TYR A 77 1.696 -1.953 -3.222 1.00 0.00 C ATOM 1127 CD2 TYR A 77 -0.297 -3.246 -3.423 1.00 0.00 C ATOM 1128 CE1 TYR A 77 2.309 -2.993 -2.551 1.00 0.00 C ATOM 1129 CE2 TYR A 77 0.308 -4.291 -2.751 1.00 0.00 C ATOM 1130 CZ TYR A 77 1.611 -4.160 -2.318 1.00 0.00 C ATOM 1131 OH TYR A 77 2.218 -5.198 -1.649 1.00 0.00 O ATOM 0 H TYR A 77 0.775 -2.759 -5.736 1.00 0.00 H new ATOM 0 HA TYR A 77 -0.579 -0.301 -6.441 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -0.114 0.006 -3.853 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -1.359 -1.089 -4.422 1.00 0.00 H new ATOM 0 HD1 TYR A 77 2.245 -1.041 -3.402 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -1.317 -3.352 -3.762 1.00 0.00 H new ATOM 0 HE1 TYR A 77 3.329 -2.893 -2.211 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -0.236 -5.205 -2.566 1.00 0.00 H new ATOM 0 HH TYR A 77 1.635 -5.505 -0.924 1.00 0.00 H new ATOM 1141 N THR A 78 1.153 1.486 -5.620 1.00 0.00 N ATOM 1142 CA THR A 78 2.208 2.492 -5.610 1.00 0.00 C ATOM 1143 C THR A 78 1.948 3.550 -4.544 1.00 0.00 C ATOM 1144 O THR A 78 1.074 4.403 -4.701 1.00 0.00 O ATOM 1145 CB THR A 78 2.339 3.182 -6.981 1.00 0.00 C ATOM 1146 OG1 THR A 78 2.341 2.202 -8.025 1.00 0.00 O ATOM 1147 CG2 THR A 78 3.614 4.008 -7.052 1.00 0.00 C ATOM 0 H THR A 78 0.220 1.851 -5.431 1.00 0.00 H new ATOM 0 HA THR A 78 3.139 1.972 -5.383 1.00 0.00 H new ATOM 0 HB THR A 78 1.486 3.848 -7.110 1.00 0.00 H new ATOM 0 HG1 THR A 78 2.423 2.649 -8.893 1.00 0.00 H new ATOM 0 HG21 THR A 78 3.684 4.485 -8.029 1.00 0.00 H new ATOM 0 HG22 THR A 78 3.596 4.772 -6.275 1.00 0.00 H new ATOM 0 HG23 THR A 78 4.477 3.359 -6.902 1.00 0.00 H new ATOM 1155 N CYS A 79 2.714 3.491 -3.459 1.00 0.00 N ATOM 1156 CA CYS A 79 2.567 4.444 -2.366 1.00 0.00 C ATOM 1157 C CYS A 79 3.234 5.773 -2.710 1.00 0.00 C ATOM 1158 O CYS A 79 4.445 5.835 -2.921 1.00 0.00 O ATOM 1159 CB CYS A 79 3.171 3.875 -1.081 1.00 0.00 C ATOM 1160 SG CYS A 79 2.837 4.875 0.404 1.00 0.00 S ATOM 0 H CYS A 79 3.443 2.793 -3.314 1.00 0.00 H new ATOM 0 HA CYS A 79 1.503 4.621 -2.212 1.00 0.00 H new ATOM 0 HB2 CYS A 79 2.782 2.869 -0.924 1.00 0.00 H new ATOM 0 HB3 CYS A 79 4.250 3.783 -1.209 1.00 0.00 H new ATOM 1165 N VAL A 80 2.435 6.834 -2.764 1.00 0.00 N ATOM 1166 CA VAL A 80 2.947 8.161 -3.081 1.00 0.00 C ATOM 1167 C VAL A 80 2.573 9.167 -1.998 1.00 0.00 C ATOM 1168 O VAL A 80 1.500 9.081 -1.401 1.00 0.00 O ATOM 1169 CB VAL A 80 2.414 8.660 -4.437 1.00 0.00 C ATOM 1170 CG1 VAL A 80 0.948 8.287 -4.604 1.00 0.00 C ATOM 1171 CG2 VAL A 80 2.607 10.164 -4.565 1.00 0.00 C ATOM 0 H VAL A 80 1.430 6.800 -2.592 1.00 0.00 H new ATOM 0 HA VAL A 80 4.032 8.077 -3.136 1.00 0.00 H new ATOM 0 HB VAL A 80 2.981 8.175 -5.231 1.00 0.00 H new ATOM 0 HG11 VAL A 80 0.588 8.648 -5.568 1.00 0.00 H new ATOM 0 HG12 VAL A 80 0.841 7.203 -4.559 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.363 8.743 -3.805 1.00 0.00 H new ATOM 0 HG21 VAL A 80 2.225 10.499 -5.529 1.00 0.00 H new ATOM 0 HG22 VAL A 80 2.067 10.670 -3.765 1.00 0.00 H new ATOM 0 HG23 VAL A 80 3.668 10.402 -4.493 1.00 0.00 H new ATOM 1181 N ALA A 81 3.464 10.122 -1.751 1.00 0.00 N ATOM 1182 CA ALA A 81 3.226 11.146 -0.742 1.00 0.00 C ATOM 1183 C ALA A 81 3.300 12.543 -1.350 1.00 0.00 C ATOM 1184 O ALA A 81 4.367 13.156 -1.397 1.00 0.00 O ATOM 1185 CB ALA A 81 4.228 11.010 0.395 1.00 0.00 C ATOM 0 H ALA A 81 4.357 10.207 -2.236 1.00 0.00 H new ATOM 0 HA ALA A 81 2.221 11.003 -0.345 1.00 0.00 H new ATOM 0 HB1 ALA A 81 4.038 11.781 1.141 1.00 0.00 H new ATOM 0 HB2 ALA A 81 4.125 10.027 0.855 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.239 11.124 0.004 1.00 0.00 H new ATOM 1191 N THR A 82 2.159 13.041 -1.816 1.00 0.00 N ATOM 1192 CA THR A 82 2.094 14.365 -2.423 1.00 0.00 C ATOM 1193 C THR A 82 2.131 15.459 -1.362 1.00 0.00 C ATOM 1194 O THR A 82 1.566 15.305 -0.279 1.00 0.00 O ATOM 1195 CB THR A 82 0.820 14.532 -3.273 1.00 0.00 C ATOM 1196 OG1 THR A 82 0.641 13.389 -4.117 1.00 0.00 O ATOM 1197 CG2 THR A 82 0.899 15.790 -4.124 1.00 0.00 C ATOM 0 H THR A 82 1.267 12.547 -1.785 1.00 0.00 H new ATOM 0 HA THR A 82 2.967 14.460 -3.069 1.00 0.00 H new ATOM 0 HB THR A 82 -0.032 14.622 -2.598 1.00 0.00 H new ATOM 0 HG1 THR A 82 -0.172 13.502 -4.653 1.00 0.00 H new ATOM 0 HG21 THR A 82 -0.011 15.887 -4.715 1.00 0.00 H new ATOM 0 HG22 THR A 82 1.006 16.661 -3.477 1.00 0.00 H new ATOM 0 HG23 THR A 82 1.759 15.725 -4.790 1.00 0.00 H new ATOM 1205 N SER A 83 2.799 16.563 -1.680 1.00 0.00 N ATOM 1206 CA SER A 83 2.911 17.682 -0.752 1.00 0.00 C ATOM 1207 C SER A 83 3.476 18.914 -1.453 1.00 0.00 C ATOM 1208 O SER A 83 4.273 18.801 -2.385 1.00 0.00 O ATOM 1209 CB SER A 83 3.801 17.302 0.433 1.00 0.00 C ATOM 1210 OG SER A 83 5.155 17.177 0.034 1.00 0.00 O ATOM 0 H SER A 83 3.271 16.707 -2.573 1.00 0.00 H new ATOM 0 HA SER A 83 1.912 17.920 -0.385 1.00 0.00 H new ATOM 0 HB2 SER A 83 3.717 18.059 1.213 1.00 0.00 H new ATOM 0 HB3 SER A 83 3.457 16.361 0.863 1.00 0.00 H new ATOM 0 HG SER A 83 5.704 16.935 0.809 1.00 0.00 H new ATOM 1216 N SER A 84 3.058 20.090 -0.997 1.00 0.00 N ATOM 1217 CA SER A 84 3.518 21.344 -1.581 1.00 0.00 C ATOM 1218 C SER A 84 5.002 21.270 -1.926 1.00 0.00 C ATOM 1219 O SER A 84 5.428 21.732 -2.985 1.00 0.00 O ATOM 1220 CB SER A 84 3.264 22.505 -0.617 1.00 0.00 C ATOM 1221 OG SER A 84 1.882 22.639 -0.333 1.00 0.00 O ATOM 0 H SER A 84 2.401 20.201 -0.224 1.00 0.00 H new ATOM 0 HA SER A 84 2.957 21.515 -2.500 1.00 0.00 H new ATOM 0 HB2 SER A 84 3.814 22.340 0.309 1.00 0.00 H new ATOM 0 HB3 SER A 84 3.641 23.431 -1.051 1.00 0.00 H new ATOM 0 HG SER A 84 1.746 23.386 0.286 1.00 0.00 H new ATOM 1227 N SER A 85 5.785 20.687 -1.024 1.00 0.00 N ATOM 1228 CA SER A 85 7.222 20.555 -1.230 1.00 0.00 C ATOM 1229 C SER A 85 7.519 19.781 -2.511 1.00 0.00 C ATOM 1230 O SER A 85 8.069 20.327 -3.466 1.00 0.00 O ATOM 1231 CB SER A 85 7.867 19.852 -0.034 1.00 0.00 C ATOM 1232 OG SER A 85 8.265 20.787 0.953 1.00 0.00 O ATOM 0 H SER A 85 5.448 20.298 -0.143 1.00 0.00 H new ATOM 0 HA SER A 85 7.644 21.555 -1.325 1.00 0.00 H new ATOM 0 HB2 SER A 85 7.162 19.141 0.397 1.00 0.00 H new ATOM 0 HB3 SER A 85 8.733 19.280 -0.368 1.00 0.00 H new ATOM 0 HG SER A 85 7.618 20.781 1.689 1.00 0.00 H new ATOM 1238 N GLY A 86 7.150 18.503 -2.522 1.00 0.00 N ATOM 1239 CA GLY A 86 7.385 17.674 -3.689 1.00 0.00 C ATOM 1240 C GLY A 86 6.387 16.538 -3.803 1.00 0.00 C ATOM 1241 O GLY A 86 5.213 16.699 -3.472 1.00 0.00 O ATOM 0 H GLY A 86 6.693 18.028 -1.744 1.00 0.00 H new ATOM 0 HA2 GLY A 86 7.333 18.291 -4.586 1.00 0.00 H new ATOM 0 HA3 GLY A 86 8.394 17.264 -3.643 1.00 0.00 H new ATOM 1245 N GLU A 87 6.855 15.386 -4.274 1.00 0.00 N ATOM 1246 CA GLU A 87 5.994 14.220 -4.433 1.00 0.00 C ATOM 1247 C GLU A 87 6.811 12.988 -4.812 1.00 0.00 C ATOM 1248 O GLU A 87 7.403 12.928 -5.890 1.00 0.00 O ATOM 1249 CB GLU A 87 4.929 14.487 -5.498 1.00 0.00 C ATOM 1250 CG GLU A 87 4.192 13.236 -5.948 1.00 0.00 C ATOM 1251 CD GLU A 87 3.242 13.502 -7.100 1.00 0.00 C ATOM 1252 OE1 GLU A 87 2.888 14.679 -7.318 1.00 0.00 O ATOM 1253 OE2 GLU A 87 2.853 12.531 -7.783 1.00 0.00 O ATOM 0 H GLU A 87 7.825 15.236 -4.552 1.00 0.00 H new ATOM 0 HA GLU A 87 5.503 14.029 -3.479 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.207 15.203 -5.106 1.00 0.00 H new ATOM 0 HB3 GLU A 87 5.401 14.952 -6.364 1.00 0.00 H new ATOM 0 HG2 GLU A 87 4.917 12.479 -6.247 1.00 0.00 H new ATOM 0 HG3 GLU A 87 3.632 12.826 -5.107 1.00 0.00 H new ATOM 1260 N THR A 88 6.839 12.005 -3.917 1.00 0.00 N ATOM 1261 CA THR A 88 7.584 10.776 -4.155 1.00 0.00 C ATOM 1262 C THR A 88 6.648 9.577 -4.260 1.00 0.00 C ATOM 1263 O THR A 88 5.557 9.578 -3.689 1.00 0.00 O ATOM 1264 CB THR A 88 8.611 10.515 -3.037 1.00 0.00 C ATOM 1265 OG1 THR A 88 9.442 9.402 -3.385 1.00 0.00 O ATOM 1266 CG2 THR A 88 7.912 10.237 -1.714 1.00 0.00 C ATOM 0 H THR A 88 6.354 12.037 -3.020 1.00 0.00 H new ATOM 0 HA THR A 88 8.112 10.905 -5.100 1.00 0.00 H new ATOM 0 HB THR A 88 9.227 11.407 -2.925 1.00 0.00 H new ATOM 0 HG1 THR A 88 10.093 9.244 -2.670 1.00 0.00 H new ATOM 0 HG21 THR A 88 8.657 10.056 -0.940 1.00 0.00 H new ATOM 0 HG22 THR A 88 7.303 11.097 -1.437 1.00 0.00 H new ATOM 0 HG23 THR A 88 7.275 9.359 -1.817 1.00 0.00 H new ATOM 1274 N SER A 89 7.081 8.556 -4.991 1.00 0.00 N ATOM 1275 CA SER A 89 6.279 7.351 -5.173 1.00 0.00 C ATOM 1276 C SER A 89 7.124 6.099 -4.959 1.00 0.00 C ATOM 1277 O SER A 89 8.344 6.124 -5.126 1.00 0.00 O ATOM 1278 CB SER A 89 5.661 7.331 -6.572 1.00 0.00 C ATOM 1279 OG SER A 89 6.655 7.149 -7.566 1.00 0.00 O ATOM 0 H SER A 89 7.983 8.538 -5.467 1.00 0.00 H new ATOM 0 HA SER A 89 5.480 7.360 -4.431 1.00 0.00 H new ATOM 0 HB2 SER A 89 4.926 6.529 -6.637 1.00 0.00 H new ATOM 0 HB3 SER A 89 5.129 8.265 -6.752 1.00 0.00 H new ATOM 0 HG SER A 89 6.234 7.138 -8.451 1.00 0.00 H new ATOM 1285 N TRP A 90 6.467 5.006 -4.590 1.00 0.00 N ATOM 1286 CA TRP A 90 7.157 3.743 -4.353 1.00 0.00 C ATOM 1287 C TRP A 90 6.489 2.606 -5.118 1.00 0.00 C ATOM 1288 O TRP A 90 5.264 2.552 -5.224 1.00 0.00 O ATOM 1289 CB TRP A 90 7.180 3.423 -2.857 1.00 0.00 C ATOM 1290 CG TRP A 90 8.206 2.396 -2.485 1.00 0.00 C ATOM 1291 CD1 TRP A 90 8.128 1.048 -2.690 1.00 0.00 C ATOM 1292 CD2 TRP A 90 9.463 2.633 -1.842 1.00 0.00 C ATOM 1293 NE1 TRP A 90 9.260 0.433 -2.213 1.00 0.00 N ATOM 1294 CE2 TRP A 90 10.095 1.384 -1.689 1.00 0.00 C ATOM 1295 CE3 TRP A 90 10.116 3.780 -1.382 1.00 0.00 C ATOM 1296 CZ2 TRP A 90 11.347 1.252 -1.094 1.00 0.00 C ATOM 1297 CZ3 TRP A 90 11.358 3.647 -0.792 1.00 0.00 C ATOM 1298 CH2 TRP A 90 11.964 2.391 -0.653 1.00 0.00 C ATOM 0 H TRP A 90 5.458 4.968 -4.448 1.00 0.00 H new ATOM 0 HA TRP A 90 8.181 3.845 -4.711 1.00 0.00 H new ATOM 0 HB2 TRP A 90 7.375 4.339 -2.300 1.00 0.00 H new ATOM 0 HB3 TRP A 90 6.195 3.069 -2.553 1.00 0.00 H new ATOM 0 HD1 TRP A 90 7.298 0.540 -3.158 1.00 0.00 H new ATOM 0 HE1 TRP A 90 9.448 -0.569 -2.244 1.00 0.00 H new ATOM 0 HE3 TRP A 90 9.658 4.753 -1.486 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 11.815 0.285 -0.984 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 11.871 4.526 -0.432 1.00 0.00 H new ATOM 0 HH2 TRP A 90 12.937 2.321 -0.189 1.00 0.00 H new ATOM 1309 N SER A 91 7.302 1.698 -5.650 1.00 0.00 N ATOM 1310 CA SER A 91 6.788 0.564 -6.409 1.00 0.00 C ATOM 1311 C SER A 91 6.819 -0.710 -5.570 1.00 0.00 C ATOM 1312 O SER A 91 7.757 -0.942 -4.808 1.00 0.00 O ATOM 1313 CB SER A 91 7.606 0.366 -7.687 1.00 0.00 C ATOM 1314 OG SER A 91 8.864 -0.221 -7.401 1.00 0.00 O ATOM 0 H SER A 91 8.318 1.726 -5.569 1.00 0.00 H new ATOM 0 HA SER A 91 5.753 0.777 -6.677 1.00 0.00 H new ATOM 0 HB2 SER A 91 7.054 -0.268 -8.381 1.00 0.00 H new ATOM 0 HB3 SER A 91 7.753 1.326 -8.181 1.00 0.00 H new ATOM 0 HG SER A 91 9.367 -0.339 -8.234 1.00 0.00 H new ATOM 1320 N ALA A 92 5.785 -1.532 -5.716 1.00 0.00 N ATOM 1321 CA ALA A 92 5.693 -2.783 -4.974 1.00 0.00 C ATOM 1322 C ALA A 92 4.629 -3.698 -5.570 1.00 0.00 C ATOM 1323 O ALA A 92 3.640 -3.232 -6.135 1.00 0.00 O ATOM 1324 CB ALA A 92 5.392 -2.506 -3.508 1.00 0.00 C ATOM 0 H ALA A 92 4.999 -1.354 -6.342 1.00 0.00 H new ATOM 0 HA ALA A 92 6.654 -3.291 -5.047 1.00 0.00 H new ATOM 0 HB1 ALA A 92 5.326 -3.449 -2.966 1.00 0.00 H new ATOM 0 HB2 ALA A 92 6.189 -1.897 -3.082 1.00 0.00 H new ATOM 0 HB3 ALA A 92 4.445 -1.973 -3.425 1.00 0.00 H new ATOM 1330 N VAL A 93 4.840 -5.005 -5.442 1.00 0.00 N ATOM 1331 CA VAL A 93 3.899 -5.986 -5.969 1.00 0.00 C ATOM 1332 C VAL A 93 3.396 -6.911 -4.867 1.00 0.00 C ATOM 1333 O VAL A 93 4.108 -7.190 -3.901 1.00 0.00 O ATOM 1334 CB VAL A 93 4.538 -6.834 -7.084 1.00 0.00 C ATOM 1335 CG1 VAL A 93 3.513 -7.783 -7.687 1.00 0.00 C ATOM 1336 CG2 VAL A 93 5.141 -5.938 -8.155 1.00 0.00 C ATOM 0 H VAL A 93 5.654 -5.408 -4.978 1.00 0.00 H new ATOM 0 HA VAL A 93 3.059 -5.428 -6.383 1.00 0.00 H new ATOM 0 HB VAL A 93 5.339 -7.431 -6.649 1.00 0.00 H new ATOM 0 HG11 VAL A 93 3.983 -8.374 -8.473 1.00 0.00 H new ATOM 0 HG12 VAL A 93 3.132 -8.448 -6.912 1.00 0.00 H new ATOM 0 HG13 VAL A 93 2.689 -7.208 -8.109 1.00 0.00 H new ATOM 0 HG21 VAL A 93 5.588 -6.554 -8.935 1.00 0.00 H new ATOM 0 HG22 VAL A 93 4.360 -5.313 -8.589 1.00 0.00 H new ATOM 0 HG23 VAL A 93 5.907 -5.304 -7.710 1.00 0.00 H new ATOM 1346 N LEU A 94 2.164 -7.386 -5.017 1.00 0.00 N ATOM 1347 CA LEU A 94 1.565 -8.282 -4.034 1.00 0.00 C ATOM 1348 C LEU A 94 1.028 -9.543 -4.703 1.00 0.00 C ATOM 1349 O LEU A 94 0.049 -9.495 -5.447 1.00 0.00 O ATOM 1350 CB LEU A 94 0.437 -7.569 -3.285 1.00 0.00 C ATOM 1351 CG LEU A 94 -0.521 -8.466 -2.501 1.00 0.00 C ATOM 1352 CD1 LEU A 94 0.082 -8.844 -1.157 1.00 0.00 C ATOM 1353 CD2 LEU A 94 -1.863 -7.776 -2.311 1.00 0.00 C ATOM 0 H LEU A 94 1.561 -7.166 -5.810 1.00 0.00 H new ATOM 0 HA LEU A 94 2.339 -8.571 -3.323 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.883 -6.855 -2.593 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.144 -6.994 -4.006 1.00 0.00 H new ATOM 0 HG LEU A 94 -0.683 -9.380 -3.073 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.614 -9.483 -0.613 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.018 -9.380 -1.316 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.275 -7.941 -0.578 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.532 -8.429 -1.751 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.719 -6.846 -1.761 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -2.301 -7.557 -3.285 1.00 0.00 H new ATOM 1365 N ASP A 95 1.674 -10.672 -4.431 1.00 0.00 N ATOM 1366 CA ASP A 95 1.260 -11.947 -5.004 1.00 0.00 C ATOM 1367 C ASP A 95 0.346 -12.703 -4.044 1.00 0.00 C ATOM 1368 O ASP A 95 0.743 -13.043 -2.930 1.00 0.00 O ATOM 1369 CB ASP A 95 2.484 -12.801 -5.340 1.00 0.00 C ATOM 1370 CG ASP A 95 3.040 -12.498 -6.718 1.00 0.00 C ATOM 1371 OD1 ASP A 95 2.296 -12.661 -7.707 1.00 0.00 O ATOM 1372 OD2 ASP A 95 4.220 -12.098 -6.807 1.00 0.00 O ATOM 0 H ASP A 95 2.487 -10.730 -3.817 1.00 0.00 H new ATOM 0 HA ASP A 95 0.706 -11.743 -5.920 1.00 0.00 H new ATOM 0 HB2 ASP A 95 3.259 -12.630 -4.593 1.00 0.00 H new ATOM 0 HB3 ASP A 95 2.214 -13.856 -5.284 1.00 0.00 H new ATOM 1377 N VAL A 96 -0.881 -12.961 -4.485 1.00 0.00 N ATOM 1378 CA VAL A 96 -1.853 -13.676 -3.665 1.00 0.00 C ATOM 1379 C VAL A 96 -2.051 -15.102 -4.167 1.00 0.00 C ATOM 1380 O VAL A 96 -2.543 -15.321 -5.274 1.00 0.00 O ATOM 1381 CB VAL A 96 -3.214 -12.955 -3.651 1.00 0.00 C ATOM 1382 CG1 VAL A 96 -4.269 -13.820 -2.977 1.00 0.00 C ATOM 1383 CG2 VAL A 96 -3.094 -11.607 -2.956 1.00 0.00 C ATOM 0 H VAL A 96 -1.226 -12.686 -5.405 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.454 -13.702 -2.651 1.00 0.00 H new ATOM 0 HB VAL A 96 -3.525 -12.781 -4.681 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -5.224 -13.295 -2.976 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.372 -14.759 -3.521 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.968 -14.027 -1.950 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -4.064 -11.111 -2.955 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -2.761 -11.756 -1.929 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.370 -10.988 -3.486 1.00 0.00 H new ATOM 1393 N THR A 97 -1.664 -16.072 -3.344 1.00 0.00 N ATOM 1394 CA THR A 97 -1.798 -17.478 -3.703 1.00 0.00 C ATOM 1395 C THR A 97 -3.028 -18.098 -3.049 1.00 0.00 C ATOM 1396 O THR A 97 -3.804 -17.409 -2.389 1.00 0.00 O ATOM 1397 CB THR A 97 -0.551 -18.284 -3.294 1.00 0.00 C ATOM 1398 OG1 THR A 97 -0.318 -18.146 -1.888 1.00 0.00 O ATOM 1399 CG2 THR A 97 0.673 -17.815 -4.065 1.00 0.00 C ATOM 0 H THR A 97 -1.255 -15.909 -2.424 1.00 0.00 H new ATOM 0 HA THR A 97 -1.907 -17.518 -4.787 1.00 0.00 H new ATOM 0 HB THR A 97 -0.729 -19.333 -3.531 1.00 0.00 H new ATOM 0 HG1 THR A 97 0.566 -17.749 -1.740 1.00 0.00 H new ATOM 0 HG21 THR A 97 1.541 -18.399 -3.759 1.00 0.00 H new ATOM 0 HG22 THR A 97 0.503 -17.949 -5.133 1.00 0.00 H new ATOM 0 HG23 THR A 97 0.853 -16.760 -3.856 1.00 0.00 H new ATOM 1407 N GLU A 98 -3.197 -19.403 -3.236 1.00 0.00 N ATOM 1408 CA GLU A 98 -4.334 -20.115 -2.663 1.00 0.00 C ATOM 1409 C GLU A 98 -3.928 -20.851 -1.388 1.00 0.00 C ATOM 1410 O GLU A 98 -4.773 -21.189 -0.559 1.00 0.00 O ATOM 1411 CB GLU A 98 -4.907 -21.107 -3.677 1.00 0.00 C ATOM 1412 CG GLU A 98 -5.758 -20.455 -4.753 1.00 0.00 C ATOM 1413 CD GLU A 98 -6.140 -21.419 -5.859 1.00 0.00 C ATOM 1414 OE1 GLU A 98 -7.030 -22.264 -5.628 1.00 0.00 O ATOM 1415 OE2 GLU A 98 -5.550 -21.328 -6.956 1.00 0.00 O ATOM 0 H GLU A 98 -2.562 -19.988 -3.779 1.00 0.00 H new ATOM 0 HA GLU A 98 -5.100 -19.382 -2.411 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -4.085 -21.644 -4.151 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -5.508 -21.847 -3.149 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -6.663 -20.051 -4.300 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -5.213 -19.614 -5.182 1.00 0.00 H new ATOM 1422 N SER A 99 -2.630 -21.095 -1.241 1.00 0.00 N ATOM 1423 CA SER A 99 -2.112 -21.794 -0.071 1.00 0.00 C ATOM 1424 C SER A 99 -1.087 -20.936 0.665 1.00 0.00 C ATOM 1425 O SER A 99 -1.035 -20.928 1.894 1.00 0.00 O ATOM 1426 CB SER A 99 -1.479 -23.124 -0.484 1.00 0.00 C ATOM 1427 OG SER A 99 -1.237 -23.946 0.645 1.00 0.00 O ATOM 0 H SER A 99 -1.918 -20.819 -1.917 1.00 0.00 H new ATOM 0 HA SER A 99 -2.946 -21.991 0.603 1.00 0.00 H new ATOM 0 HB2 SER A 99 -2.137 -23.643 -1.181 1.00 0.00 H new ATOM 0 HB3 SER A 99 -0.542 -22.937 -1.009 1.00 0.00 H new ATOM 0 HG SER A 99 -0.834 -24.791 0.354 1.00 0.00 H new ATOM 1433 N GLY A 100 -0.271 -20.215 -0.098 1.00 0.00 N ATOM 1434 CA GLY A 100 0.742 -19.364 0.497 1.00 0.00 C ATOM 1435 C GLY A 100 1.355 -19.975 1.742 1.00 0.00 C ATOM 1436 O GLY A 100 1.097 -19.520 2.856 1.00 0.00 O ATOM 0 H GLY A 100 -0.294 -20.205 -1.118 1.00 0.00 H new ATOM 0 HA2 GLY A 100 1.527 -19.173 -0.235 1.00 0.00 H new ATOM 0 HA3 GLY A 100 0.300 -18.400 0.749 1.00 0.00 H new